4-[[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]amino]methyl]cyclohexanecarboxylic acid Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NCC2CCC(CC2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NCC2CCC(CC2)C(=O)O)OC

InChI

InChI=1S/C19H25NO5/c1-24-16-9-5-13(11-17(16)25-2)6-10-18(21)20-12-14-3-7-15(8-4-14)19(22)23/h5-6,9-11,14-15H,3-4,7-8,12H2,1-2H3,(H,20,21)(H,22,23)/b10-6+