methyl 5-cyano-5-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-[(phenylmethyl)amino]cyclohexene-1-carboxylate

Systemtic Name: methyl 5-cyano-5-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-[(phenylmethyl)amino]cyclohexene-1-carboxylate Openeye Name: methyl 2-(benzylamino)-5-cyano-5-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexene-1-carboxylate CAS Name: 5-cyano-5-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-2-[(phenylmethyl)amino]-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl 2-(benzylamino)-5-cyano-5-[2-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate Traditional Name: 2-(benzylamino)-5-cyano-5-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexene-1-carboxylic acid methyl ester Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2(CCC(=C(C2)C(=O)OC)NCC3=CC=CC=C3)C#N)OCC4CC4

Isomeric SMILES

COC1=CC(=C(C=C1)C2(CCC(=C(C2)C(=O)OC)NCC3=CC=CC=C3)C#N)OCC4CC4

InChI

InChI=1S/C27H30N2O4/c1-31-21-10-11-23(25(14-21)33-17-20-8-9-20)27(18-28)13-12-24(22(15-27)26(30)32-2)29-16-19-6-4-3-5-7-19/h3-7,10-11,14,20,29H,8-9,12-13,15-17H2,1-2H3