2-methylpropyl 3-[4-[1-(4-carbamimidoylphenyl)-3-methyl-5-oxidanylidene-1,2,4-triazol-4-yl]phenyl]propanoate

Systemtic Name: 2-methylpropyl 3-[4-[1-(4-carbamimidoylphenyl)-3-methyl-5-oxidanylidene-1,2,4-triazol-4-yl]phenyl]propanoate Openeye Name: isobutyl 3-[4-[1-(4-carbamimidoylphenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]phenyl]propanoate CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]phenyl]propanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-[4-[1-(4-carbamimidoylphenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]phenyl]propanoate Traditional Name: 3-[4-[1-(4-amidinophenyl)-5-keto-3-methyl-1,2,4-triazol-4-yl]phenyl]propionic acid isobutyl ester Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2=CC=C(C=C2)CCC(=O)OCC(C)C)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=NN(C(=O)N1C2=CC=C(C=C2)CCC(=O)OCC(C)C)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H27N5O3/c1-15(2)14-31-21(29)13-6-17-4-9-19(10-5-17)27-16(3)26-28(23(27)30)20-11-7-18(8-12-20)22(24)25/h4-5,7-12,15H,6,13-14H2,1-3H3,(H3,24,25)