7-(4-tert-butylcyclohexyl)oxy-1-(cyclopentylmethyl)isoquinoline-3-carboxylic acid

Systemtic Name: 7-(4-tert-butylcyclohexyl)oxy-1-(cyclopentylmethyl)isoquinoline-3-carboxylic acid Openeye Name: 7-(4-tert-butylcyclohexoxy)-1-(cyclopentylmethyl)isoquinoline-3-carboxylic acid CAS Name: 7-(4-tert-butylcyclohexyl)oxy-1-(cyclopentylmethyl)-3-isoquinolinecarboxylic acid IUPAC Name: 7-(4-tert-butylcyclohexyl)oxy-1-(cyclopentylmethyl)isoquinoline-3-carboxylic acid Traditional Name: 7-(4-tert-butylcyclohexoxy)-1-(cyclopentylmethyl)isoquinoline-3-carboxylic acid Formula: C26H35NO3 MolecularWeight: 409.561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO3/c1-26(2,3)19-9-12-20(13-10-19)30-21-11-8-18-15-24(25(28)29)27-23(22(18)16-21)14-17-6-4-5-7-17/h8,11,15-17,19-20H,4-7,9-10,12-14H2,1-3H3,(H,28,29)