[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] (2R)-5-oxidanylidenepyrrolidine-2-carboxylate

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] (2R)-5-oxidanylidenepyrrolidine-2-carboxylate Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl] (2R)-5-oxopyrrolidine-2-carboxylate CAS Name: (2R)-5-oxo-2-pyrrolidinecarboxylic acid [2-[4-(1-azepanyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate Traditional Name: (2R)-5-ketopyrrolidine-2-carboxylic acid [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl] ester Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3CCC(=O)N3

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)[C@H]3CCC(=O)N3

InChI

InChI=1S/C19H25N3O4/c23-17-10-9-16(21-17)19(25)26-13-18(24)20-14-5-7-15(8-6-14)22-11-3-1-2-4-12-22/h5-8,16H,1-4,9-13H2,(H,20,24)(H,21,23)/t16-/m1/s1