[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)COC(=O)C2=CC(=CN2)C(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C)NC(=O)COC(=O)C2=CC(=CN2)C(=O)C)C

InChI

InChI=1S/C19H22N2O4/c1-11-5-6-15(7-12(11)2)13(3)21-18(23)10-25-19(24)17-8-16(9-20-17)14(4)22/h5-9,13,20H,10H2,1-4H3,(H,21,23)/t13-/m0/s1