N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methylphenyl)amino]quinoline-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methylanilino)quinoline-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methylanilino)-4-quinolinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methylanilino)quinoline-4-carboxamide Traditional Name: N-homoveratryl-2-(o-toluidino)cinchoninamide Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=CC=C1NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H27N3O3/c1-18-8-4-6-10-22(18)29-26-17-21(20-9-5-7-11-23(20)30-26)27(31)28-15-14-19-12-13-24(32-2)25(16-19)33-3/h4-13,16-17H,14-15H2,1-3H3,(H,28,31)(H,29,30)