[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 3-benzamido-3-phenyl-propanoate

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 3-benzamido-3-phenyl-propanoate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 3-benzamido-3-phenyl-propanoate CAS Name: 3-benzamido-3-phenylpropanoic acid [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 3-benzamido-3-phenylpropanoate Traditional Name: 3-benzamido-3-phenyl-propionic acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C27H26N6O3 MolecularWeight: 482.53374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H26N6O3/c1-18-12-14-21(15-13-18)29-27-32-23(31-26(28)33-27)17-36-24(34)16-22(19-8-4-2-5-9-19)30-25(35)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H,30,35)(H3,28,29,31,32,33)