4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexane-1-carboxylic acid; 4-(6-methoxynaphthalen-2-yl)butan-2-one

Systemtic Name: 4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexane-1-carboxylic acid; 4-(6-methoxynaphthalen-2-yl)butan-2-one Openeye Name: 4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexanecarboxylic acid; 4-(6-methoxy-2-naphthyl)butan-2-one CAS Name: 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-cyclohexanecarboxylic acid; 4-(6-methoxy-2-naphthalenyl)-2-butanone IUPAC Name: 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid; 4-(6-methoxynaphthalen-2-yl)butan-2-one Traditional Name: 4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexanecarboxylic acid; 4-(6-methoxy-2-naphthyl)butan-2-one Formula: C35H41NO6 MolecularWeight: 571.70314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC2=C(C=C1)C=C(C=C2)OC.COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)O)C#N)OC3CCCC3

Isomeric SMILES

CC(=O)CCC1=CC2=C(C=C1)C=C(C=C2)OC.COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)O)C#N)OC3CCCC3

InChI

InChI=1S/C20H25NO4.C15H16O2/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;1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23);5-10H,3-4H2,1-2H3