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

Systemtic Name: 1-(cyclopentylmethyl)-7-(4-ethylcyclohexyl)oxy-isoquinoline-3-carboxylic acid Openeye Name: 1-(cyclopentylmethyl)-7-(4-ethylcyclohexoxy)isoquinoline-3-carboxylic acid CAS Name: 1-(cyclopentylmethyl)-7-(4-ethylcyclohexyl)oxy-3-isoquinolinecarboxylic acid IUPAC Name: 1-(cyclopentylmethyl)-7-(4-ethylcyclohexyl)oxyisoquinoline-3-carboxylic acid Traditional Name: 1-(cyclopentylmethyl)-7-(4-ethylcyclohexoxy)isoquinoline-3-carboxylic acid Formula: C24H31NO3 MolecularWeight: 381.50784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)OC2=CC3=C(N=C(C=C3C=C2)C(=O)O)CC4CCCC4

Isomeric SMILES

CCC1CCC(CC1)OC2=CC3=C(N=C(C=C3C=C2)C(=O)O)CC4CCCC4

InChI

InChI=1S/C24H31NO3/c1-2-16-7-10-19(11-8-16)28-20-12-9-18-14-23(24(26)27)25-22(21(18)15-20)13-17-5-3-4-6-17/h9,12,14-17,19H,2-8,10-11,13H2,1H3,(H,26,27)