1-(cyclopentylmethyl)-7-(4-propan-2-ylcyclohexyl)oxy-isoquinoline-3-carboxylic acid

Systemtic Name: 1-(cyclopentylmethyl)-7-(4-propan-2-ylcyclohexyl)oxy-isoquinoline-3-carboxylic acid Openeye Name: 1-(cyclopentylmethyl)-7-(4-isopropylcyclohexoxy)isoquinoline-3-carboxylic acid CAS Name: 1-(cyclopentylmethyl)-7-(4-propan-2-ylcyclohexyl)oxy-3-isoquinolinecarboxylic acid IUPAC Name: 1-(cyclopentylmethyl)-7-(4-propan-2-ylcyclohexyl)oxyisoquinoline-3-carboxylic acid Traditional Name: 1-(cyclopentylmethyl)-7-(4-isopropylcyclohexoxy)isoquinoline-3-carboxylic acid Formula: C25H33NO3 MolecularWeight: 395.53442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(CC1)OC2=CC3=C(N=C(C=C3C=C2)C(=O)O)CC4CCCC4

Isomeric SMILES

CC(C)C1CCC(CC1)OC2=CC3=C(N=C(C=C3C=C2)C(=O)O)CC4CCCC4

InChI

InChI=1S/C25H33NO3/c1-16(2)18-7-10-20(11-8-18)29-21-12-9-19-14-24(25(27)28)26-23(22(19)15-21)13-17-5-3-4-6-17/h9,12,14-18,20H,3-8,10-11,13H2,1-2H3,(H,27,28)