2-[[[2-(2-cyanophenyl)quinolin-6-yl]methyl-pentanoyl-amino]methyl]-2-ethyl-butanoic acid

Systemtic Name: 2-[[[2-(2-cyanophenyl)quinolin-6-yl]methyl-pentanoyl-amino]methyl]-2-ethyl-butanoic acid Openeye Name: 2-[[[2-(2-cyanophenyl)-6-quinolyl]methyl-pentanoyl-amino]methyl]-2-ethyl-butanoic acid CAS Name: 2-[[[2-(2-cyanophenyl)-6-quinolinyl]methyl-(1-oxopentyl)amino]methyl]-2-ethylbutanoic acid IUPAC Name: 2-[[[2-(2-cyanophenyl)quinolin-6-yl]methyl-pentanoylamino]methyl]-2-ethylbutanoic acid Traditional Name: 2-[[[2-(2-cyanophenyl)-6-quinolyl]methyl-valeryl-amino]methyl]-2-ethyl-butyric acid Formula: C29H33N3O3 MolecularWeight: 471.59062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC2=C(C=C1)N=C(C=C2)C3=CC=CC=C3C#N)CC(CC)(CC)C(=O)O

Isomeric SMILES

CCCCC(=O)N(CC1=CC2=C(C=C1)N=C(C=C2)C3=CC=CC=C3C#N)CC(CC)(CC)C(=O)O

InChI

InChI=1S/C29H33N3O3/c1-4-7-12-27(33)32(20-29(5-2,6-3)28(34)35)19-21-13-15-25-22(17-21)14-16-26(31-25)24-11-9-8-10-23(24)18-30/h8-11,13-17H,4-7,12,19-20H2,1-3H3,(H,34,35)