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

Systemtic Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-3-methyl-5-oxidanylidene-1,2,4-triazol-4-yl]phenyl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3/c1-13-23-25(17-10-6-15(7-11-17)19(21)22)20(27)24(13)16-8-3-14(4-9-16)5-12-18(26)28-2/h3-4,6-11H,5,12H2,1-2H3,(H3,21,22)