methyl 2-[4-[(3-butyl-5-phenyl-1,2,4-triazol-4-yl)methyl]-2-propyl-phenoxy]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[4-[(3-butyl-5-phenyl-1,2,4-triazol-4-yl)methyl]-2-propyl-phenoxy]-2-phenyl-ethanoate Openeye Name: methyl 2-[4-[(3-butyl-5-phenyl-1,2,4-triazol-4-yl)methyl]-2-propyl-phenoxy]-2-phenyl-acetate CAS Name: 2-[4-[(3-butyl-5-phenyl-1,2,4-triazol-4-yl)methyl]-2-propylphenoxy]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[4-[(3-butyl-5-phenyl-1,2,4-triazol-4-yl)methyl]-2-propylphenoxy]-2-phenylacetate Traditional Name: 2-[4-[(3-butyl-5-phenyl-1,2,4-triazol-4-yl)methyl]-2-propyl-phenoxy]-2-phenyl-acetic acid methyl ester Formula: C31H35N3O3 MolecularWeight: 497.6279

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC(=C(C=C2)OC(C3=CC=CC=C3)C(=O)OC)CCC)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC(=C(C=C2)OC(C3=CC=CC=C3)C(=O)OC)CCC)C4=CC=CC=C4

InChI

InChI=1S/C31H35N3O3/c1-4-6-18-28-32-33-30(25-16-11-8-12-17-25)34(28)22-23-19-20-27(26(21-23)13-5-2)37-29(31(35)36-3)24-14-9-7-10-15-24/h7-12,14-17,19-21,29H,4-6,13,18,22H2,1-3H3