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

Systemtic Name: methyl 2-azanyl-5-cyano-5-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexene-1-carboxylate Openeye Name: methyl 2-amino-5-cyano-5-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexene-1-carboxylate CAS Name: 2-amino-5-cyano-5-[2-(cyclopropylmethoxy)-4-methoxyphenyl]-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl 2-amino-5-cyano-5-[2-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate Traditional Name: 2-amino-5-cyano-5-[2-(cyclopropylmethoxy)-4-methoxy-phenyl]cyclohexene-1-carboxylic acid methyl ester Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2(CCC(=C(C2)C(=O)OC)N)C#N)OCC3CC3

Isomeric SMILES

COC1=CC(=C(C=C1)C2(CCC(=C(C2)C(=O)OC)N)C#N)OCC3CC3

InChI

InChI=1S/C20H24N2O4/c1-24-14-5-6-16(18(9-14)26-11-13-3-4-13)20(12-21)8-7-17(22)15(10-20)19(23)25-2/h5-6,9,13H,3-4,7-8,10-11,22H2,1-2H3