methyl 4-(2-benzylbenzoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate

CAS: 120934-96-5

Molecular Formula	`C22H21NO3`
Molecular Weight	347.4 g/mol
LogP	4.6
Topological Polar Surface Area	59.2 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	6
Exact Mass	347.15213
Heavy Atoms	26
Complexity	500.0

Chemical Identifiers

CAS Number	120934-96-5
SMILES	`CC1=C(C(=C(N1)C)C(=O)OC)C(=O)C2=CC=CC=C2CC3=CC=CC=C3`
InChIKey	`MDMWHKZANMNXTF-UHFFFAOYSA-N`

📖 Product Overview

methyl 4-(2-benzylbenzoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate (CAS: 120934-96-5) is a chemical compound with molecular formula C22H21NO3 and molecular weight 347.4 g/mol. Its IUPAC systematic name is methyl 4-(2-benzylbenzoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate. LogP 4.6 Topological Polar Surface Area 59.2 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 6 Exact Mass 347.15213 Heavy Atoms 26 Complexity 500.0 InChI Key: MDMWHKZANMNXTF-UHFFFAOYSA-N. SMILES: CC1=C(C(=C(N1)C)C(=O)OC)C(=O)C2=CC=CC=C2CC3=CC=CC=C3.

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