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

Systemtic Name: 2-methoxy-4-[(7-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)carbonyl]benzoic acid Openeye Name: 2-methoxy-4-(7-methyl-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzoic acid CAS Name: 2-methoxy-4-[(7-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-oxomethyl]benzoic acid IUPAC Name: 2-methoxy-4-(7-methyl-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzoic acid Traditional Name: 2-methoxy-4-(7-methyl-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzoic acid Formula: C20H21NO4 MolecularWeight: 339.38504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CCCC2)C(=O)C3=CC(=C(C=C3)C(=O)O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(CCCC2)C(=O)C3=CC(=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C20H21NO4/c1-13-6-9-17-14(11-13)5-3-4-10-21(17)19(22)15-7-8-16(20(23)24)18(12-15)25-2/h6-9,11-12H,3-5,10H2,1-2H3,(H,23,24)