2-[3-oxidanylidene-2-phenethyl-8-(4-piperidin-4-ylpiperidin-1-yl)carbonyl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid

Systemtic Name: 2-[3-oxidanylidene-2-phenethyl-8-(4-piperidin-4-ylpiperidin-1-yl)carbonyl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-[3-oxo-2-phenethyl-8-[4-(4-piperidyl)piperidine-1-carbonyl]-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid CAS Name: 2-[3-oxo-8-[oxo-[4-(4-piperidinyl)-1-piperidinyl]methyl]-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[3-oxo-2-phenethyl-8-(4-piperidin-4-ylpiperidine-1-carbonyl)-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-[3-keto-2-phenethyl-8-[4-(4-piperidyl)piperidine-1-carbonyl]-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Formula: C31H39N3O4 MolecularWeight: 517.65906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2CCN(CC2)C(=O)C3=CC4=C(CC(C(=O)N(C4)CCC5=CC=CC=C5)CC(=O)O)C=C3

Isomeric SMILES

C1CNCCC1C2CCN(CC2)C(=O)C3=CC4=C(CC(C(=O)N(C4)CCC5=CC=CC=C5)CC(=O)O)C=C3

InChI

InChI=1S/C31H39N3O4/c35-29(36)20-27-18-25-6-7-26(30(37)33-16-11-24(12-17-33)23-8-13-32-14-9-23)19-28(25)21-34(31(27)38)15-10-22-4-2-1-3-5-22/h1-7,19,23-24,27,32H,8-18,20-21H2,(H,35,36)