3-ethanoyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylic acid

Systemtic Name: 3-ethanoyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylic acid Openeye Name: 3-acetyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylic acid CAS Name: 3-acetyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylic acid IUPAC Name: 3-acetyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylic acid Traditional Name: 3-acetyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylic acid Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C(CC1)C=C(C=C2)C(=O)O

Isomeric SMILES

CC(=O)N1CCC2=C(CC1)C=C(C=C2)C(=O)O

InChI

InChI=1S/C13H15NO3/c1-9(15)14-6-4-10-2-3-12(13(16)17)8-11(10)5-7-14/h2-3,8H,4-7H2,1H3,(H,16,17)