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

Systemtic Name: cyclopentylmethyl 3-[4-[1-(4-carbamimidoylphenyl)-3-methyl-5-oxidanylidene-1,2,4-triazol-4-yl]phenyl]propanoate Openeye Name: cyclopentylmethyl 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 cyclopentylmethyl ester IUPAC Name: cyclopentylmethyl 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 cyclopentylmethyl ester Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2=CC=C(C=C2)CCC(=O)OCC3CCCC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC1=NN(C(=O)N1C2=CC=C(C=C2)CCC(=O)OCC3CCCC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H29N5O3/c1-17-28-30(22-13-9-20(10-14-22)24(26)27)25(32)29(17)21-11-6-18(7-12-21)8-15-23(31)33-16-19-4-2-3-5-19/h6-7,9-14,19H,2-5,8,15-16H2,1H3,(H3,26,27)