methyl 2-azanyl-5-cyano-5-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexene-1-carboxylate

Systemtic Name: methyl 2-azanyl-5-cyano-5-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexene-1-carboxylate Openeye Name: methyl 2-amino-5-cyano-5-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexene-1-carboxylate CAS Name: 2-amino-5-cyano-5-(3-cyclopentyloxy-4-methoxyphenyl)-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl 2-amino-5-cyano-5-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate Traditional Name: 2-amino-5-cyano-5-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexene-1-carboxylic acid methyl ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(=C(C2)C(=O)OC)N)C#N)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(=C(C2)C(=O)OC)N)C#N)OC3CCCC3

InChI

InChI=1S/C21H26N2O4/c1-25-18-8-7-14(11-19(18)27-15-5-3-4-6-15)21(13-22)10-9-17(23)16(12-21)20(24)26-2/h7-8,11,15H,3-6,9-10,12,23H2,1-2H3