benzyl-[3-(3-ethoxycarbonyl-2-methyl-1-phenylindol-5-yl)oxy-2-hydroxypropyl]azanium chloride
benzyl-[3-(3-ethoxycarbonyl-2-methyl-1-phenylindol-5-yl)oxy-2-hydroxypropyl]azanium chloride
| Molecular Formula | C28H31ClN2O4 |
|---|---|
| Molecular Weight | 495.0 g/mol |
| Topological Polar Surface Area | 77.3 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 494.19724 |
| Heavy Atoms | 35 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 76410-21-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(C[NH2+]CC3=CC=CC=C3)O)C4=CC=CC=C4)C.[Cl-] |
| InChIKey | VVKJDEUSWNRZOX-UHFFFAOYSA-N |
📖 Product Overview
benzyl-[3-(3-ethoxycarbonyl-2-methyl-1-phenylindol-5-yl)oxy-2-hydroxypropyl]azanium chloride (CAS: 76410-21-4) is a chemical compound with molecular formula C28H31ClN2O4 and molecular weight 495.0 g/mol. Its IUPAC systematic name is benzyl-[3-(3-ethoxycarbonyl-2-methyl-1-phenylindol-5-yl)oxy-2-hydroxypropyl]azanium chloride.
VVKJDEUSWNRZOX-UHFFFAOYSA-N.
SMILES: CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(C[NH2+]CC3=CC=CC=C3)O)C4=CC=CC=C4)C.[Cl-].
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