4-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]-1-methyl-cyclohexane-1-carboxylic acid

Systemtic Name: 4-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]-1-methyl-cyclohexane-1-carboxylic acid Openeye Name: 4-[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]-1-methyl-cyclohexanecarboxylic acid CAS Name: 4-[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enyl]-1-methyl-1-cyclohexanecarboxylic acid IUPAC Name: 4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-methylcyclohexane-1-carboxylic acid Traditional Name: 4-[(E)-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]-1-methyl-cyclohexanecarboxylic acid Formula: C18H22O5 MolecularWeight: 318.36428

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)C(=O)C=CC2=CC(=C(C=C2)O)OC)C(=O)O

Isomeric SMILES

CC1(CCC(CC1)C(=O)/C=C/C2=CC(=C(C=C2)O)OC)C(=O)O

InChI

InChI=1S/C18H22O5/c1-18(17(21)22)9-7-13(8-10-18)14(19)5-3-12-4-6-15(20)16(11-12)23-2/h3-6,11,13,20H,7-10H2,1-2H3,(H,21,22)/b5-3+