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

Systemtic Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)carbonylamino]butanoate Openeye Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(5-methyl-2-phenyl-triazole-4-carbonyl)amino]butanoate CAS Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[(5-methyl-2-phenyl-4-triazolyl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(5-methyl-2-phenyltriazole-4-carbonyl)amino]butanoate Traditional Name: 2-(3-amidinobenzyl)-3-[(5-methyl-2-phenyl-triazole-4-carbonyl)amino]butyric acid methyl ester Formula: C23H26N6O3 MolecularWeight: 434.49094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6O3/c1-14(19(23(31)32-3)13-16-8-7-9-17(12-16)21(24)25)26-22(30)20-15(2)27-29(28-20)18-10-5-4-6-11-18/h4-12,14,19H,13H2,1-3H3,(H3,24,25)(H,26,30)