pentyl 4-[[(3S)-1-(3-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate

Systemtic Name: pentyl 4-[[(3S)-1-(3-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: pentyl 4-[[(3S)-1-(m-tolyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3S)-1-(3-methylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[[(3S)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-5-keto-1-(m-tolyl)pyrrolidine-3-carbonyl]amino]benzoic acid amyl ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)C3=CC=CC(=C3)C

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2CC(=O)N(C2)C3=CC=CC(=C3)C

InChI

InChI=1S/C24H28N2O4/c1-3-4-5-13-30-24(29)18-9-11-20(12-10-18)25-23(28)19-15-22(27)26(16-19)21-8-6-7-17(2)14-21/h6-12,14,19H,3-5,13,15-16H2,1-2H3,(H,25,28)/t19-/m0/s1