[(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl] 2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylate

Systemtic Name: [(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl] 2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylate Openeye Name: [(1S)-2-amino-2-oxo-1-phenyl-ethyl] 2,5-dimethyl-1-(m-tolyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(3-methylphenyl)-3-pyrrolecarboxylic acid [(1S)-2-amino-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-amino-2-oxo-1-phenylethyl] 2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(m-tolyl)pyrrole-3-carboxylic acid [(1S)-2-amino-2-keto-1-phenyl-ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=C2C)C(=O)OC(C3=CC=CC=C3)C(=O)N)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=C2C)C(=O)O[C@@H](C3=CC=CC=C3)C(=O)N)C

InChI

InChI=1S/C22H22N2O3/c1-14-8-7-11-18(12-14)24-15(2)13-19(16(24)3)22(26)27-20(21(23)25)17-9-5-4-6-10-17/h4-13,20H,1-3H3,(H2,23,25)/t20-/m0/s1