2-[3-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-8-methoxy-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-8-methoxy-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-8-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-8-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-8-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-[(1-carbethoxy-3-phenyl-propyl)amino]-2-keto-8-methoxy-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C25H30N2O6 MolecularWeight: 454.5155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CCC3=C(C=C(C=C3)OC)N(C2=O)CC(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CCC3=C(C=C(C=C3)OC)N(C2=O)CC(=O)O

InChI

InChI=1S/C25H30N2O6/c1-3-33-25(31)21(13-9-17-7-5-4-6-8-17)26-20-14-11-18-10-12-19(32-2)15-22(18)27(24(20)30)16-23(28)29/h4-8,10,12,15,20-21,26H,3,9,11,13-14,16H2,1-2H3,(H,28,29)