2-[2-methyl-1-[4-(quinolin-3-ylmethoxy)phenyl]carbonyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-1-[4-(quinolin-3-ylmethoxy)phenyl]carbonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-[4-(3-quinolylmethoxy)benzoyl]indol-3-yl]acetic acid CAS Name: 2-[2-methyl-1-[oxo-[4-(3-quinolinylmethoxy)phenyl]methyl]-3-indolyl]acetic acid IUPAC Name: 2-[2-methyl-1-[4-(quinolin-3-ylmethoxy)benzoyl]indol-3-yl]acetic acid Traditional Name: 2-[2-methyl-1-[4-(3-quinolylmethoxy)benzoyl]indol-3-yl]acetic acid Formula: C28H22N2O4 MolecularWeight: 450.48528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4=CC5=CC=CC=C5N=C4)CC(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4=CC5=CC=CC=C5N=C4)CC(=O)O

InChI

InChI=1S/C28H22N2O4/c1-18-24(15-27(31)32)23-7-3-5-9-26(23)30(18)28(33)20-10-12-22(13-11-20)34-17-19-14-21-6-2-4-8-25(21)29-16-19/h2-14,16H,15,17H2,1H3,(H,31,32)