methyl 4-[2-[3-(5-aminocarbonyl-1H-1,2,4-triazol-3-yl)phenyl]phenyl]benzoate

Systemtic Name: methyl 4-[2-[3-(5-aminocarbonyl-1H-1,2,4-triazol-3-yl)phenyl]phenyl]benzoate Openeye Name: methyl 4-[2-[3-(5-carbamoyl-1H-1,2,4-triazol-3-yl)phenyl]phenyl]benzoate CAS Name: 4-[2-[3-(5-carbamoyl-1H-1,2,4-triazol-3-yl)phenyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[3-(5-carbamoyl-1H-1,2,4-triazol-3-yl)phenyl]phenyl]benzoate Traditional Name: 4-[2-[3-(5-carbamoyl-1H-1,2,4-triazol-3-yl)phenyl]phenyl]benzoic acid methyl ester Formula: C23H18N4O3 MolecularWeight: 398.41402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=CC=C2C3=CC(=CC=C3)C4=NNC(=N4)C(=O)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=CC=C2C3=CC(=CC=C3)C4=NNC(=N4)C(=O)N

InChI

InChI=1S/C23H18N4O3/c1-30-23(29)15-11-9-14(10-12-15)18-7-2-3-8-19(18)16-5-4-6-17(13-16)21-25-22(20(24)28)27-26-21/h2-13H,1H3,(H2,24,28)(H,25,26,27)