methyl 1-[[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]amino]cyclohexanecarboxylate CAS Name: 1-[[(E)-3-(4-butoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[(E)-3-(4-butoxy-3-methoxy-phenyl)acryloyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C22H31NO5 MolecularWeight: 389.48524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)NC2(CCCCC2)C(=O)OC)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)NC2(CCCCC2)C(=O)OC)OC

InChI

InChI=1S/C22H31NO5/c1-4-5-15-28-18-11-9-17(16-19(18)26-2)10-12-20(24)23-22(21(25)27-3)13-7-6-8-14-22/h9-12,16H,4-8,13-15H2,1-3H3,(H,23,24)/b12-10+