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

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-3-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)carbonylamino]butanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-3-[(5-methyl-2-phenyl-triazole-4-carbonyl)amino]butanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-[[(5-methyl-2-phenyl-4-triazolyl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-3-[(5-methyl-2-phenyltriazole-4-carbonyl)amino]butanoate Traditional Name: 2-(3-cyanobenzyl)-3-[(5-methyl-2-phenyl-triazole-4-carbonyl)amino]butyric acid methyl ester Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)NC(C)C(CC2=CC=CC(=C2)C#N)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(N=C1C(=O)NC(C)C(CC2=CC=CC(=C2)C#N)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C23H23N5O3/c1-15(20(23(30)31-3)13-17-8-7-9-18(12-17)14-24)25-22(29)21-16(2)26-28(27-21)19-10-5-4-6-11-19/h4-12,15,20H,13H2,1-3H3,(H,25,29)