[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] (E)-3-(4-isopropoxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-2-propenoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)acrylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NC2(CCCCC2)C#N)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NC2(CCCCC2)C#N)OC

InChI

InChI=1S/C22H28N2O5/c1-16(2)29-18-9-7-17(13-19(18)27-3)8-10-21(26)28-14-20(25)24-22(15-23)11-5-4-6-12-22/h7-10,13,16H,4-6,11-12,14H2,1-3H3,(H,24,25)/b10-8+