1-[2-(2-methoxy-4,6-dimethyl-phenyl)ethanoylamino]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-(2-methoxy-4,6-dimethyl-phenyl)ethanoylamino]cycloheptane-1-carboxylic acid Openeye Name: 1-[[2-(2-methoxy-4,6-dimethyl-phenyl)acetyl]amino]cycloheptanecarboxylic acid CAS Name: 1-[[2-(2-methoxy-4,6-dimethylphenyl)-1-oxoethyl]amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]cycloheptane-1-carboxylic acid Traditional Name: 1-[[2-(2-methoxy-4,6-dimethyl-phenyl)acetyl]amino]cycloheptanecarboxylic acid Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC)CC(=O)NC2(CCCCCC2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC)CC(=O)NC2(CCCCCC2)C(=O)O)C

InChI

InChI=1S/C19H27NO4/c1-13-10-14(2)15(16(11-13)24-3)12-17(21)20-19(18(22)23)8-6-4-5-7-9-19/h10-11H,4-9,12H2,1-3H3,(H,20,21)(H,22,23)