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

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoate Openeye Name: [2-[(1-cyanocyclopentyl)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-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)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-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NC2(CCCC2)C#N)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NC2(CCCC2)C#N)OC

InChI

InChI=1S/C21H26N2O5/c1-15(2)28-17-8-6-16(12-18(17)26-3)7-9-20(25)27-13-19(24)23-21(14-22)10-4-5-11-21/h6-9,12,15H,4-5,10-11,13H2,1-3H3,(H,23,24)/b9-7+