ethyl 2-[[4-(2-cyanophenyl)phenyl]methyl-propyl-amino]quinoline-3-carboxylate

Systemtic Name: ethyl 2-[[4-(2-cyanophenyl)phenyl]methyl-propyl-amino]quinoline-3-carboxylate Openeye Name: ethyl 2-[[4-(2-cyanophenyl)phenyl]methyl-propyl-amino]quinoline-3-carboxylate CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methyl-propylamino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2-cyanophenyl)phenyl]methyl-propylamino]quinoline-3-carboxylate Traditional Name: 2-[[4-(2-cyanophenyl)benzyl]-propyl-amino]quinoline-3-carboxylic acid ethyl ester Formula: C29H27N3O2 MolecularWeight: 449.54358

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C3=NC4=CC=CC=C4C=C3C(=O)OCC

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C3=NC4=CC=CC=C4C=C3C(=O)OCC

InChI

InChI=1S/C29H27N3O2/c1-3-17-32(20-21-13-15-22(16-14-21)25-11-7-5-10-24(25)19-30)28-26(29(33)34-4-2)18-23-9-6-8-12-27(23)31-28/h5-16,18H,3-4,17,20H2,1-2H3