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

Systemtic Name: 2-[[[2-(2-cyanophenyl)quinolin-6-yl]methylamino]methyl]-2-ethyl-butanoic acid Openeye Name: 2-[[[2-(2-cyanophenyl)-6-quinolyl]methylamino]methyl]-2-ethyl-butanoic acid CAS Name: 2-[[[2-(2-cyanophenyl)-6-quinolinyl]methylamino]methyl]-2-ethylbutanoic acid IUPAC Name: 2-[[[2-(2-cyanophenyl)quinolin-6-yl]methylamino]methyl]-2-ethylbutanoic acid Traditional Name: 2-[[[2-(2-cyanophenyl)-6-quinolyl]methylamino]methyl]-2-ethyl-butyric acid Formula: C24H25N3O2 MolecularWeight: 387.4742

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CNCC1=CC2=C(C=C1)N=C(C=C2)C3=CC=CC=C3C#N)C(=O)O

Isomeric SMILES

CCC(CC)(CNCC1=CC2=C(C=C1)N=C(C=C2)C3=CC=CC=C3C#N)C(=O)O

InChI

InChI=1S/C24H25N3O2/c1-3-24(4-2,23(28)29)16-26-15-17-9-11-21-18(13-17)10-12-22(27-21)20-8-6-5-7-19(20)14-25/h5-13,26H,3-4,15-16H2,1-2H3,(H,28,29)