2-(2-butyl-7-carboxy-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl)ethanoate

Systemtic Name: 2-(2-butyl-7-carboxy-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl)ethanoate Openeye Name: 2-(2-butyl-7-carboxy-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)acetate CAS Name: 2-(2-butyl-7-carboxy-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)acetate IUPAC Name: 2-(2-butyl-7-carboxy-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)acetate Traditional Name: 2-(2-butyl-7-carboxy-3-keto-4,5-dihydro-1H-2-benzazepin-4-yl)acetate Formula: C17H20NO5- MolecularWeight: 318.3444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2=C(CC(C1=O)CC(=O)[O-])C=C(C=C2)C(=O)O

Isomeric SMILES

CCCCN1CC2=C(CC(C1=O)CC(=O)[O-])C=C(C=C2)C(=O)O

InChI

InChI=1S/C17H21NO5/c1-2-3-6-18-10-12-5-4-11(17(22)23)7-13(12)8-14(16(18)21)9-15(19)20/h4-5,7,14H,2-3,6,8-10H2,1H3,(H,19,20)(H,22,23)/p-1