1-(2-cyanophenyl)-4-[(2-methylquinolin-4-yl)oxymethyl]indole-2-carboxylic acid

Systemtic Name: 1-(2-cyanophenyl)-4-[(2-methylquinolin-4-yl)oxymethyl]indole-2-carboxylic acid Openeye Name: 1-(2-cyanophenyl)-4-[(2-methyl-4-quinolyl)oxymethyl]indole-2-carboxylic acid CAS Name: 1-(2-cyanophenyl)-4-[(2-methyl-4-quinolinyl)oxymethyl]-2-indolecarboxylic acid IUPAC Name: 1-(2-cyanophenyl)-4-[(2-methylquinolin-4-yl)oxymethyl]indole-2-carboxylic acid Traditional Name: 1-(2-cyanophenyl)-4-[(2-methyl-4-quinolyl)oxymethyl]indole-2-carboxylic acid Formula: C27H19N3O3 MolecularWeight: 433.45806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)OCC3=C4C=C(N(C4=CC=C3)C5=CC=CC=C5C#N)C(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)OCC3=C4C=C(N(C4=CC=C3)C5=CC=CC=C5C#N)C(=O)O

InChI

InChI=1S/C27H19N3O3/c1-17-13-26(20-9-3-4-10-22(20)29-17)33-16-19-8-6-12-24-21(19)14-25(27(31)32)30(24)23-11-5-2-7-18(23)15-28/h2-14H,16H2,1H3,(H,31,32)