[4-[(3S)-5-ethanoyl-4-(4-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-3-yl]-2-methoxy-phenyl] benzoate

Systemtic Name: [4-[(3S)-5-ethanoyl-4-(4-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-3-yl]-2-methoxy-phenyl] benzoate Openeye Name: [4-[(3S)-5-acetyl-4-(4-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-3-yl]-2-methoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(3S)-5-acetyl-4-(4-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-3-yl]-2-methoxyphenyl] ester IUPAC Name: [4-[(3S)-5-acetyl-4-(4-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-3-yl]-2-methoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(3S)-5-acetyl-4-(4-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-3-yl]-2-methoxy-phenyl] ester Formula: C31H27N3O5 MolecularWeight: 521.56318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C(N1C2=CC=C(C=C2)OC)C3=CC(=C(C=C3)OC(=O)C4=CC=CC=C4)OC)C5=CC=CC=C5

Isomeric SMILES

CC(=O)C1=NN([C@H](N1C2=CC=C(C=C2)OC)C3=CC(=C(C=C3)OC(=O)C4=CC=CC=C4)OC)C5=CC=CC=C5

InChI

InChI=1S/C31H27N3O5/c1-21(35)29-32-34(25-12-8-5-9-13-25)30(33(29)24-15-17-26(37-2)18-16-24)23-14-19-27(28(20-23)38-3)39-31(36)22-10-6-4-7-11-22/h4-20,30H,1-3H3/t30-/m0/s1