[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-5-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-chloro-5-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)acrylic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C21H25ClN2O5 MolecularWeight: 420.8866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C=CC(=O)OCC(=O)NC2(CCCC2)C#N)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)/C=C/C(=O)OCC(=O)NC2(CCCC2)C#N)OC

InChI

InChI=1S/C21H25ClN2O5/c1-14(2)29-20-16(22)10-15(11-17(20)27-3)6-7-19(26)28-12-18(25)24-21(13-23)8-4-5-9-21/h6-7,10-11,14H,4-5,8-9,12H2,1-3H3,(H,24,25)/b7-6+