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

Systemtic Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]propanoate CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]propanoate Traditional Name: 3-[4-[1-(4-amidinophenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]propionic acid methyl ester Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)OC

Isomeric SMILES

CC1=NC(=NN1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)OC

InChI

InChI=1S/C20H21N5O2/c1-13-23-20(16-6-3-14(4-7-16)5-12-18(26)27-2)24-25(13)17-10-8-15(9-11-17)19(21)22/h3-4,6-11H,5,12H2,1-2H3,(H3,21,22)