2,2-bis(2-methylphenoxy)-2-(1-quinolin-2-ylcarbonylpiperidin-4-yl)ethanoic acid

Systemtic Name: 2,2-bis(2-methylphenoxy)-2-(1-quinolin-2-ylcarbonylpiperidin-4-yl)ethanoic acid Openeye Name: 2,2-bis(2-methylphenoxy)-2-[1-(quinoline-2-carbonyl)-4-piperidyl]acetic acid CAS Name: 2,2-bis(2-methylphenoxy)-2-[1-[oxo(2-quinolinyl)methyl]-4-piperidinyl]acetic acid IUPAC Name: 2,2-bis(2-methylphenoxy)-2-[1-(quinoline-2-carbonyl)piperidin-4-yl]acetic acid Traditional Name: 2,2-bis(2-methylphenoxy)-2-(1-quinaldoyl-4-piperidyl)acetic acid Formula: C31H30N2O5 MolecularWeight: 510.5803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(C2CCN(CC2)C(=O)C3=NC4=CC=CC=C4C=C3)(C(=O)O)OC5=CC=CC=C5C

Isomeric SMILES

CC1=CC=CC=C1OC(C2CCN(CC2)C(=O)C3=NC4=CC=CC=C4C=C3)(C(=O)O)OC5=CC=CC=C5C

InChI

InChI=1S/C31H30N2O5/c1-21-9-3-7-13-27(21)37-31(30(35)36,38-28-14-8-4-10-22(28)2)24-17-19-33(20-18-24)29(34)26-16-15-23-11-5-6-12-25(23)32-26/h3-16,24H,17-20H2,1-2H3,(H,35,36)