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

Systemtic Name: 2-[2-methyl-7-[methyl(2-pyridin-4-ylethyl)carbamoyl]-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-[2-methyl-7-[methyl-[2-(4-pyridyl)ethyl]carbamoyl]-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid CAS Name: 2-[2-methyl-7-[[methyl(2-pyridin-4-ylethyl)amino]-oxomethyl]-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[2-methyl-7-[methyl(2-pyridin-4-ylethyl)carbamoyl]-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-[3-keto-2-methyl-7-[methyl-[2-(4-pyridyl)ethyl]carbamoyl]-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(CC(C1=O)CC(=O)O)C=C(C=C2)C(=O)N(C)CCC3=CC=NC=C3

Isomeric SMILES

CN1CC2=C(CC(C1=O)CC(=O)O)C=C(C=C2)C(=O)N(C)CCC3=CC=NC=C3

InChI

InChI=1S/C22H25N3O4/c1-24(10-7-15-5-8-23-9-6-15)21(28)16-3-4-17-14-25(2)22(29)19(13-20(26)27)12-18(17)11-16/h3-6,8-9,11,19H,7,10,12-14H2,1-2H3,(H,26,27)