2-[2-oxidanylidene-3-(2-phenylethanoylamino)-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[2-oxidanylidene-3-(2-phenylethanoylamino)-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[2-oxo-3-[(2-phenylacetyl)amino]-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[2-oxo-3-[(1-oxo-2-phenylethyl)amino]-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[2-oxo-3-[(2-phenylacetyl)amino]-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[2-keto-3-[(2-phenylacetyl)amino]-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C20H20N2O4 MolecularWeight: 352.3838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=O)C1NC(=O)CC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C(=O)C1NC(=O)CC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C20H20N2O4/c23-18(12-14-6-2-1-3-7-14)21-16-11-10-15-8-4-5-9-17(15)22(20(16)26)13-19(24)25/h1-9,16H,10-13H2,(H,21,23)(H,24,25)