methyl 2-[[4-[[(4-methylpyridin-3-yl)amino]methyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-[[(4-methylpyridin-3-yl)amino]methyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-[[(4-methyl-3-pyridyl)amino]methyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[[(4-methyl-3-pyridinyl)amino]methyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-[[(4-methylpyridin-3-yl)amino]methyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[[(4-methyl-3-pyridyl)amino]methyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C26H29N3O3S MolecularWeight: 463.59176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NC=C1)NCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=NC=C1)NCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C26H29N3O3S/c1-18-11-13-27-17-24(18)28-16-19-9-10-21(22(15-19)20-7-5-4-6-8-20)25(30)29-23(12-14-33-3)26(31)32-2/h4-11,13,15,17,23,28H,12,14,16H2,1-3H3,(H,29,30)