6-(4-tert-butylphenoxy)-1-(cyclopentylmethyl)isoquinoline-3-carboxylic acid

Systemtic Name: 6-(4-tert-butylphenoxy)-1-(cyclopentylmethyl)isoquinoline-3-carboxylic acid Openeye Name: 6-(4-tert-butylphenoxy)-1-(cyclopentylmethyl)isoquinoline-3-carboxylic acid CAS Name: 6-(4-tert-butylphenoxy)-1-(cyclopentylmethyl)-3-isoquinolinecarboxylic acid IUPAC Name: 6-(4-tert-butylphenoxy)-1-(cyclopentylmethyl)isoquinoline-3-carboxylic acid Traditional Name: 6-(4-tert-butylphenoxy)-1-(cyclopentylmethyl)isoquinoline-3-carboxylic acid Formula: C26H29NO3 MolecularWeight: 403.51336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=CC3=CC(=NC(=C3C=C2)CC4CCCC4)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=CC3=CC(=NC(=C3C=C2)CC4CCCC4)C(=O)O

InChI

InChI=1S/C26H29NO3/c1-26(2,3)19-8-10-20(11-9-19)30-21-12-13-22-18(15-21)16-24(25(28)29)27-23(22)14-17-6-4-5-7-17/h8-13,15-17H,4-7,14H2,1-3H3,(H,28,29)