[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] (E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-propenoic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)acrylic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C21H28ClNO5 MolecularWeight: 409.90372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C=CC(=O)OCC(=O)NC2CCC(CC2)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)/C=C/C(=O)OCC(=O)NC2CCC(CC2)C)OC

InChI

InChI=1S/C21H28ClNO5/c1-4-27-21-17(22)11-15(12-18(21)26-3)7-10-20(25)28-13-19(24)23-16-8-5-14(2)6-9-16/h7,10-12,14,16H,4-6,8-9,13H2,1-3H3,(H,23,24)/b10-7+