4-oxidanylidene-4-[[4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)phenyl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)phenyl]amino]butanoic acid Openeye Name: 4-oxo-4-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)anilino]butanoic acid CAS Name: 4-oxo-4-[4-[oxo(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]anilino]butanoic acid IUPAC Name: 4-oxo-4-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)anilino]butanoic acid Traditional Name: 4-keto-4-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)anilino]butyric acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C2=CC=CC=C2C1)C(=O)C3=CC=C(C=C3)NC(=O)CCC(=O)O

Isomeric SMILES

C1CCN(C2=CC=CC=C2C1)C(=O)C3=CC=C(C=C3)NC(=O)CCC(=O)O

InChI

InChI=1S/C21H22N2O4/c24-19(12-13-20(25)26)22-17-10-8-16(9-11-17)21(27)23-14-4-3-6-15-5-1-2-7-18(15)23/h1-2,5,7-11H,3-4,6,12-14H2,(H,22,24)(H,25,26)