methyl 3-[[2-(2,4-dimethylphenyl)-5-methyl-1,2,3-triazol-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[[2-(2,4-dimethylphenyl)-5-methyl-1,2,3-triazol-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 3-[[[2-(2,4-dimethylphenyl)-5-methyl-4-triazolyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(2,4-dimethylphenyl)-5-methyltriazole-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)NC(CC(=O)OC)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)NC(CC(=O)OC)C3=CC=CC=C3)C)C

InChI

InChI=1S/C22H24N4O3/c1-14-10-11-19(15(2)12-14)26-24-16(3)21(25-26)22(28)23-18(13-20(27)29-4)17-8-6-5-7-9-17/h5-12,18H,13H2,1-4H3,(H,23,28)