1-(3-methoxy-4-methyl-phenyl)cycloheptane-1-carboxylic acid

Systemtic Name: 1-(3-methoxy-4-methyl-phenyl)cycloheptane-1-carboxylic acid Openeye Name: 1-(3-methoxy-4-methyl-phenyl)cycloheptanecarboxylic acid CAS Name: 1-(3-methoxy-4-methylphenyl)-1-cycloheptanecarboxylic acid IUPAC Name: 1-(3-methoxy-4-methylphenyl)cycloheptane-1-carboxylic acid Traditional Name: 1-(3-methoxy-4-methyl-phenyl)cycloheptanecarboxylic acid Formula: C16H22O3 MolecularWeight: 262.34408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2(CCCCCC2)C(=O)O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C2(CCCCCC2)C(=O)O)OC

InChI

InChI=1S/C16H22O3/c1-12-7-8-13(11-14(12)19-2)16(15(17)18)9-5-3-4-6-10-16/h7-8,11H,3-6,9-10H2,1-2H3,(H,17,18)