methyl 1-azanyl-2,5-dimethyl-4-[2-(phenylmethyl)phenyl]carbonyl-pyrrole-3-carboxylate

Systemtic Name: methyl 1-azanyl-2,5-dimethyl-4-[2-(phenylmethyl)phenyl]carbonyl-pyrrole-3-carboxylate Openeye Name: methyl 1-amino-4-(2-benzylbenzoyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-amino-2,5-dimethyl-4-[oxo-[2-(phenylmethyl)phenyl]methyl]-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-amino-4-(2-benzylbenzoyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-amino-4-(2-benzylbenzoyl)-2,5-dimethyl-pyrrole-3-carboxylic acid methyl ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1N)C)C(=O)OC)C(=O)C2=CC=CC=C2CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(N1N)C)C(=O)OC)C(=O)C2=CC=CC=C2CC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3/c1-14-19(20(22(26)27-3)15(2)24(14)23)21(25)18-12-8-7-11-17(18)13-16-9-5-4-6-10-16/h4-12H,13,23H2,1-3H3