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

Systemtic Name: pentyl 4-[[(3S)-5-oxidanylidene-1-(phenylmethyl)pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: pentyl 4-[[(3S)-1-benzyl-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[(3S)-5-oxo-1-(phenylmethyl)-3-pyrrolidinyl]methyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-1-benzyl-5-keto-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)CC3=CC=CC=C3

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2CC(=O)N(C2)CC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O4/c1-2-3-7-14-30-24(29)19-10-12-21(13-11-19)25-23(28)20-15-22(27)26(17-20)16-18-8-5-4-6-9-18/h4-6,8-13,20H,2-3,7,14-17H2,1H3,(H,25,28)/t20-/m0/s1