[4-(phenylmethyl)phenyl] 6,8-dimethyl-2-thiophen-2-yl-quinoline-4-carboxylate

Systemtic Name: [4-(phenylmethyl)phenyl] 6,8-dimethyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: (4-benzylphenyl) 6,8-dimethyl-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 6,8-dimethyl-2-thiophen-2-yl-4-quinolinecarboxylic acid [4-(phenylmethyl)phenyl] ester IUPAC Name: (4-benzylphenyl) 6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 6,8-dimethyl-2-(2-thienyl)cinchoninic acid (4-benzylphenyl) ester Formula: C29H23NO2S MolecularWeight: 449.56342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OC4=CC=C(C=C4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OC4=CC=C(C=C4)CC5=CC=CC=C5)C

InChI

InChI=1S/C29H23NO2S/c1-19-15-20(2)28-24(16-19)25(18-26(30-28)27-9-6-14-33-27)29(31)32-23-12-10-22(11-13-23)17-21-7-4-3-5-8-21/h3-16,18H,17H2,1-2H3