methyl 4-[[3-butyl-5-oxidanylidene-1-(phenylmethyl)-1,2,4-triazol-4-yl]methyl]-3-[(2-chlorophenyl)methoxy]benzoate

Systemtic Name: methyl 4-[[3-butyl-5-oxidanylidene-1-(phenylmethyl)-1,2,4-triazol-4-yl]methyl]-3-[(2-chlorophenyl)methoxy]benzoate Openeye Name: methyl 4-[(1-benzyl-3-butyl-5-oxo-1,2,4-triazol-4-yl)methyl]-3-[(2-chlorophenyl)methoxy]benzoate CAS Name: 4-[[3-butyl-5-oxo-1-(phenylmethyl)-1,2,4-triazol-4-yl]methyl]-3-[(2-chlorophenyl)methoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-benzyl-3-butyl-5-oxo-1,2,4-triazol-4-yl)methyl]-3-[(2-chlorophenyl)methoxy]benzoate Traditional Name: 4-[(1-benzyl-3-butyl-5-keto-1,2,4-triazol-4-yl)methyl]-3-(2-chlorobenzyl)oxy-benzoic acid methyl ester Formula: C29H30ClN3O4 MolecularWeight: 520.0192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=C(C=C(C=C2)C(=O)OC)OCC3=CC=CC=C3Cl)CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=C(C=C(C=C2)C(=O)OC)OCC3=CC=CC=C3Cl)CC4=CC=CC=C4

InChI

InChI=1S/C29H30ClN3O4/c1-3-4-14-27-31-33(18-21-10-6-5-7-11-21)29(35)32(27)19-23-16-15-22(28(34)36-2)17-26(23)37-20-24-12-8-9-13-25(24)30/h5-13,15-17H,3-4,14,18-20H2,1-2H3