2-[7-[methyl(2-pyridin-4-ylethyl)carbamoyl]-3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid

Systemtic Name: 2-[7-[methyl(2-pyridin-4-ylethyl)carbamoyl]-3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-[7-[methyl-[2-(4-pyridyl)ethyl]carbamoyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid CAS Name: 2-[7-[[methyl(2-pyridin-4-ylethyl)amino]-oxomethyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[7-[methyl(2-pyridin-4-ylethyl)carbamoyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-[3-keto-7-[methyl-[2-(4-pyridyl)ethyl]carbamoyl]-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=NC=C1)C(=O)C2=CC3=C(CN(C(=O)C(C3)CC(=O)O)CCC4=CC=CC=C4)C=C2

Isomeric SMILES

CN(CCC1=CC=NC=C1)C(=O)C2=CC3=C(CN(C(=O)C(C3)CC(=O)O)CCC4=CC=CC=C4)C=C2

InChI

InChI=1S/C29H31N3O4/c1-31(15-11-22-9-13-30-14-10-22)28(35)23-7-8-24-20-32(16-12-21-5-3-2-4-6-21)29(36)26(19-27(33)34)18-25(24)17-23/h2-10,13-14,17,26H,11-12,15-16,18-20H2,1H3,(H,33,34)