2-cyclopentyl-2-[3-(1H-pyrrol-2-yl)-4-(quinolin-2-ylmethoxy)phenyl]ethanoic acid

Systemtic Name: 2-cyclopentyl-2-[3-(1H-pyrrol-2-yl)-4-(quinolin-2-ylmethoxy)phenyl]ethanoic acid Openeye Name: 2-cyclopentyl-2-[3-(1H-pyrrol-2-yl)-4-(2-quinolylmethoxy)phenyl]acetic acid CAS Name: 2-cyclopentyl-2-[3-(1H-pyrrol-2-yl)-4-(2-quinolinylmethoxy)phenyl]acetic acid IUPAC Name: 2-cyclopentyl-2-[3-(1H-pyrrol-2-yl)-4-(quinolin-2-ylmethoxy)phenyl]acetic acid Traditional Name: 2-cyclopentyl-2-[3-(1H-pyrrol-2-yl)-4-(2-quinolylmethoxy)phenyl]acetic acid Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC(=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=CN5)C(=O)O

Isomeric SMILES

C1CCC(C1)C(C2=CC(=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=CN5)C(=O)O

InChI

InChI=1S/C27H26N2O3/c30-27(31)26(19-7-1-2-8-19)20-12-14-25(22(16-20)24-10-5-15-28-24)32-17-21-13-11-18-6-3-4-9-23(18)29-21/h3-6,9-16,19,26,28H,1-2,7-8,17H2,(H,30,31)