Compound C22H28N2O4

2-hydroxy-2-oxoacetate;2-phenyl-N-(4-pyrrolidin-1-ium-1-ylbutyl)aniline

CAS: 21312-16-3

Molecular Formula	`C22H28N2O4`
Molecular Weight	384.5 g/mol
Topological Polar Surface Area	93.9 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	384.2049
Heavy Atoms	28
Complexity	370.0

Chemical Identifiers

CAS Number	21312-16-3
SMILES	`C1CC[NH+](C1)CCCCNC2=CC=CC=C2C3=CC=CC=C3.C(=O)(C(=O)[O-])O`
InChIKey	`UDLHCPNEXFUCMM-UHFFFAOYSA-N`

📖 Product Overview

Compound C22H28N2O4 (CAS: 21312-16-3) is a chemical compound with molecular formula C22H28N2O4 and molecular weight 384.5 g/mol. Its IUPAC systematic name is 2-hydroxy-2-oxoacetate;2-phenyl-N-(4-pyrrolidin-1-ium-1-ylbutyl)aniline. Topological Polar Surface Area 93.9 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 5 Rotatable Bonds 7 Exact Mass 384.2049 Heavy Atoms 28 Complexity 370.0 InChI Key: UDLHCPNEXFUCMM-UHFFFAOYSA-N. SMILES: C1CC[NH+](C1)CCCCNC2=CC=CC=C2C3=CC=CC=C3.C(=O)(C(=O)[O-])O.

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