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

Systemtic Name: 4-(2-carboxyethyl)-3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepine-7-carboxylic acid Openeye Name: 4-(2-carboxyethyl)-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepine-7-carboxylic acid CAS Name: 4-(2-carboxyethyl)-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepine-7-carboxylic acid IUPAC Name: 4-(2-carboxyethyl)-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepine-7-carboxylic acid Traditional Name: 4-(2-carboxyethyl)-3-keto-2-phenethyl-4,5-dihydro-1H-2-benzazepine-7-carboxylic acid Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(CC2=C1C=C(C=C2)C(=O)O)CCC3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

C1C(C(=O)N(CC2=C1C=C(C=C2)C(=O)O)CCC3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C22H23NO5/c24-20(25)9-8-16-12-19-13-17(22(27)28)6-7-18(19)14-23(21(16)26)11-10-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2,(H,24,25)(H,27,28)