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

Systemtic Name: pentyl 4-[[(3S)-1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: pentyl 4-[[(3S)-1-(3,4-dimethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3S)-1-(3,4-dimethylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-1-(3,4-dimethylphenyl)-5-keto-pyrrolidine-3-carbonyl]amino]benzoic acid amyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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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(=C(C=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O4/c1-4-5-6-13-31-25(30)19-8-10-21(11-9-19)26-24(29)20-15-23(28)27(16-20)22-12-7-17(2)18(3)14-22/h7-12,14,20H,4-6,13,15-16H2,1-3H3,(H,26,29)/t20-/m0/s1