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2-methoxy-4-[(9-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)carbonyl]benzoic acid

2-methoxy-4-[(9-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)carbonyl]benzoic acid

Systemtic Name:2-methoxy-4-[(9-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)carbonyl]benzoic acid
Openeye Name:2-methoxy-4-(9-methyl-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzoic acid
CAS Name:2-methoxy-4-[(9-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-oxomethyl]benzoic acid
IUPAC Name:2-methoxy-4-(9-methyl-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzoic acid
Traditional Name:2-methoxy-4-(9-methyl-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzoic acid
Formula: C20H21NO4
MolecularWeight: 339.38504
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(CCCC2)C(=O)C3=CC(=C(C=C3)C(=O)O)OC


Isomeric SMILES

CC1=CC=CC2=C1N(CCCC2)C(=O)C3=CC(=C(C=C3)C(=O)O)OC


InChI

InChI=1S/C20H21NO4/c1-13-6-5-8-14-7-3-4-11-21(18(13)14)19(22)15-9-10-16(20(23)24)17(12-15)25-2/h5-6,8-10,12H,3-4,7,11H2,1-2H3,(H,23,24)


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