4-[(7-chloranyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)carbonyl]-2-methoxy-benzoic acid

Systemtic Name: 4-[(7-chloranyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)carbonyl]-2-methoxy-benzoic acid Openeye Name: 4-(7-chloro-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-2-methoxy-benzoic acid CAS Name: 4-[(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-oxomethyl]-2-methoxybenzoic acid IUPAC Name: 4-(7-chloro-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-2-methoxybenzoic acid Traditional Name: 4-(7-chloro-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-2-methoxy-benzoic acid Formula: C19H18ClNO4 MolecularWeight: 359.80352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCCCC3=C2C=CC(=C3)Cl)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCCCC3=C2C=CC(=C3)Cl)C(=O)O

InChI

InChI=1S/C19H18ClNO4/c1-25-17-11-13(5-7-15(17)19(23)24)18(22)21-9-3-2-4-12-10-14(20)6-8-16(12)21/h5-8,10-11H,2-4,9H2,1H3,(H,23,24)