2-[3-oxidanylidene-2-(1-phenylethyl)-7-(3-pyridin-4-ylpropanoylamino)-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid

Systemtic Name: 2-[3-oxidanylidene-2-(1-phenylethyl)-7-(3-pyridin-4-ylpropanoylamino)-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-[3-oxo-2-(1-phenylethyl)-7-[3-(4-pyridyl)propanoylamino]-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid CAS Name: 2-[3-oxo-7-[(1-oxo-3-pyridin-4-ylpropyl)amino]-2-(1-phenylethyl)-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[3-oxo-2-(1-phenylethyl)-7-(3-pyridin-4-ylpropanoylamino)-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-[3-keto-2-(1-phenylethyl)-7-[3-(4-pyridyl)propanoylamino]-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CC3=C(CC(C2=O)CC(=O)O)C=C(C=C3)NC(=O)CCC4=CC=NC=C4

Isomeric SMILES

CC(C1=CC=CC=C1)N2CC3=C(CC(C2=O)CC(=O)O)C=C(C=C3)NC(=O)CCC4=CC=NC=C4

InChI

InChI=1S/C28H29N3O4/c1-19(21-5-3-2-4-6-21)31-18-22-8-9-25(16-23(22)15-24(28(31)35)17-27(33)34)30-26(32)10-7-20-11-13-29-14-12-20/h2-6,8-9,11-14,16,19,24H,7,10,15,17-18H2,1H3,(H,30,32)(H,33,34)