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

Systemtic Name: 4-[[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(E)-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]amino]cyclohexanecarboxylic acid Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)NC2CCC(CC2)C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NC2CCC(CC2)C(=O)O)O

InChI

InChI=1S/C17H21NO5/c1-23-15-10-11(2-8-14(15)19)3-9-16(20)18-13-6-4-12(5-7-13)17(21)22/h2-3,8-10,12-13,19H,4-7H2,1H3,(H,18,20)(H,21,22)/b9-3+