4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexane-1-carboxylic acid; ethane-1,2-diamine

Systemtic Name: 4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexane-1-carboxylic acid; ethane-1,2-diamine Openeye Name: 4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexanecarboxylic acid; ethane-1,2-diamine CAS Name: 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-cyclohexanecarboxylic acid; ethane-1,2-diamine IUPAC Name: 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid; ethane-1,2-diamine Traditional Name: 2-aminoethylamine; 4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexanecarboxylic acid Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)O)C#N)OC3CCCC3.C(CN)N

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)O)C#N)OC3CCCC3.C(CN)N

InChI

InChI=1S/C20H25NO4.C2H8N2/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23;3-1-2-4/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23);1-4H2