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

Systemtic Name: methyl 3-[1-[4-(4-carbamimidoylphenyl)phenyl]-3-methyl-5-oxidanylidene-1,2,4-triazol-4-yl]propanoate Openeye Name: methyl 3-[1-[4-(4-carbamimidoylphenyl)phenyl]-3-methyl-5-oxo-1,2,4-triazol-4-yl]propanoate CAS Name: 3-[1-[4-(4-carbamimidoylphenyl)phenyl]-3-methyl-5-oxo-1,2,4-triazol-4-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[4-(4-carbamimidoylphenyl)phenyl]-3-methyl-5-oxo-1,2,4-triazol-4-yl]propanoate Traditional Name: 3-[1-[4-(4-amidinophenyl)phenyl]-5-keto-3-methyl-1,2,4-triazol-4-yl]propionic acid methyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1CCC(=O)OC)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=NN(C(=O)N1CCC(=O)OC)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

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