2-butyl-4-(carboxymethyl)-3-oxidanylidene-4,5-dihydro-1H-2-benzazepine-7-carboxylic acid

Systemtic Name: 2-butyl-4-(carboxymethyl)-3-oxidanylidene-4,5-dihydro-1H-2-benzazepine-7-carboxylic acid Openeye Name: 2-butyl-4-(carboxymethyl)-3-oxo-4,5-dihydro-1H-2-benzazepine-7-carboxylic acid CAS Name: 2-butyl-4-(carboxymethyl)-3-oxo-4,5-dihydro-1H-2-benzazepine-7-carboxylic acid IUPAC Name: 2-butyl-4-(carboxymethyl)-3-oxo-4,5-dihydro-1H-2-benzazepine-7-carboxylic acid Traditional Name: 2-butyl-4-(carboxymethyl)-3-keto-4,5-dihydro-1H-2-benzazepine-7-carboxylic acid Formula: C17H21NO5 MolecularWeight: 319.35234

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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)