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

Systemtic Name: 4-[[[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]methyl]-1-methyl-4-oxidanyl-cyclohexane-1-carboxylic acid Openeye Name: 4-hydroxy-4-[[[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]amino]methyl]-1-methyl-cyclohexanecarboxylic acid CAS Name: 4-hydroxy-4-[[[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]methyl]-1-methyl-1-cyclohexanecarboxylic acid IUPAC Name: 4-hydroxy-4-[[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]methyl]-1-methylcyclohexane-1-carboxylic acid Traditional Name: 4-hydroxy-4-[[[(E)-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]amino]methyl]-1-methyl-cyclohexanecarboxylic acid Formula: C19H25NO6 MolecularWeight: 363.4049

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO6/c1-18(17(23)24)7-9-19(25,10-8-18)12-20-16(22)6-4-13-3-5-14(21)15(11-13)26-2/h3-6,11,21,25H,7-10,12H2,1-2H3,(H,20,22)(H,23,24)/b6-4+