1-[[[2-(2-cyanophenyl)quinolin-6-yl]methyl-pentanoyl-amino]methyl]cyclopentane-1-carboxylic acid

Systemtic Name: 1-[[[2-(2-cyanophenyl)quinolin-6-yl]methyl-pentanoyl-amino]methyl]cyclopentane-1-carboxylic acid Openeye Name: 1-[[[2-(2-cyanophenyl)-6-quinolyl]methyl-pentanoyl-amino]methyl]cyclopentanecarboxylic acid CAS Name: 1-[[[2-(2-cyanophenyl)-6-quinolinyl]methyl-(1-oxopentyl)amino]methyl]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[[[2-(2-cyanophenyl)quinolin-6-yl]methyl-pentanoylamino]methyl]cyclopentane-1-carboxylic acid Traditional Name: 1-[[[2-(2-cyanophenyl)-6-quinolyl]methyl-valeryl-amino]methyl]cyclopentanecarboxylic acid Formula: C29H31N3O3 MolecularWeight: 469.57474

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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)CC4(CCCC4)C(=O)O

Isomeric SMILES

CCCCC(=O)N(CC1=CC2=C(C=C1)N=C(C=C2)C3=CC=CC=C3C#N)CC4(CCCC4)C(=O)O

InChI

InChI=1S/C29H31N3O3/c1-2-3-10-27(33)32(20-29(28(34)35)15-6-7-16-29)19-21-11-13-25-22(17-21)12-14-26(31-25)24-9-5-4-8-23(24)18-30/h4-5,8-9,11-14,17H,2-3,6-7,10,15-16,19-20H2,1H3,(H,34,35)