[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] (3S)-1-cyclopentyl-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] (3S)-1-cyclopentyl-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl] (3S)-1-cyclopentyl-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-cyclopentyl-5-oxo-3-pyrrolidinecarboxylic acid [2-[4-(1-azepanyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl] (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-cyclopentyl-5-keto-pyrrolidine-3-carboxylic acid [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl] ester Formula: C24H33N3O4 MolecularWeight: 427.53652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3CC(=O)N(C3)C4CCCC4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)[C@H]3CC(=O)N(C3)C4CCCC4

InChI

InChI=1S/C24H33N3O4/c28-22(25-19-9-11-20(12-10-19)26-13-5-1-2-6-14-26)17-31-24(30)18-15-23(29)27(16-18)21-7-3-4-8-21/h9-12,18,21H,1-8,13-17H2,(H,25,28)/t18-/m0/s1