[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(2-phenylquinolin-4-yl)carbonylamino]benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(2-phenylquinolin-4-yl)carbonylamino]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate CAS Name: 2-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate Traditional Name: 2-[(2-phenylquinoline-4-carbonyl)amino]benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C31H29N3O4 MolecularWeight: 507.57966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C31H29N3O4/c35-29(34-18-10-1-2-11-19-34)21-38-31(37)24-15-7-9-17-27(24)33-30(36)25-20-28(22-12-4-3-5-13-22)32-26-16-8-6-14-23(25)26/h3-9,12-17,20H,1-2,10-11,18-19,21H2,(H,33,36)