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

Systemtic Name: 1-(cyclopentylmethyl)-7-(4-propan-2-ylphenoxy)isoquinoline-3-carboxylic acid Openeye Name: 1-(cyclopentylmethyl)-7-(4-isopropylphenoxy)isoquinoline-3-carboxylic acid CAS Name: 1-(cyclopentylmethyl)-7-(4-propan-2-ylphenoxy)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(cyclopentylmethyl)-7-(4-propan-2-ylphenoxy)isoquinoline-3-carboxylic acid Traditional Name: 1-(cyclopentylmethyl)-7-(4-isopropylphenoxy)isoquinoline-3-carboxylic acid Formula: C25H27NO3 MolecularWeight: 389.48678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO3/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/h7-12,14-17H,3-6,13H2,1-2H3,(H,27,28)