(2-oxidanylidene-2-phenylazanyl-ethyl) (3S)-1-(4-butylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) (3S)-1-(4-butylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) (3S)-1-(4-butylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-butylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) (3S)-1-(4-butylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(4-butylphenyl)-5-keto-pyrrolidine-3-carboxylic acid (2-anilino-2-keto-ethyl) ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O4/c1-2-3-7-17-10-12-20(13-11-17)25-15-18(14-22(25)27)23(28)29-16-21(26)24-19-8-5-4-6-9-19/h4-6,8-13,18H,2-3,7,14-16H2,1H3,(H,24,26)/t18-/m0/s1