methyl 2-methyl-2-[4-[3-(5-oxidanylidene-1-phenethyl-4-propyl-1,2,4-triazol-3-yl)propyl]phenoxy]propanoate

Systemtic Name: methyl 2-methyl-2-[4-[3-(5-oxidanylidene-1-phenethyl-4-propyl-1,2,4-triazol-3-yl)propyl]phenoxy]propanoate Openeye Name: methyl 2-methyl-2-[4-[3-(5-oxo-1-phenethyl-4-propyl-1,2,4-triazol-3-yl)propyl]phenoxy]propanoate CAS Name: 2-methyl-2-[4-[3-(5-oxo-1-phenethyl-4-propyl-1,2,4-triazol-3-yl)propyl]phenoxy]propanoic acid methyl ester IUPAC Name: methyl 2-methyl-2-[4-[3-(5-oxo-1-phenethyl-4-propyl-1,2,4-triazol-3-yl)propyl]phenoxy]propanoate Traditional Name: 2-[4-[3-(5-keto-1-phenethyl-4-propyl-1,2,4-triazol-3-yl)propyl]phenoxy]-2-methyl-propionic acid methyl ester Formula: C27H35N3O4 MolecularWeight: 465.5845

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=O)CCC2=CC=CC=C2)CCCC3=CC=C(C=C3)OC(C)(C)C(=O)OC

Isomeric SMILES

CCCN1C(=NN(C1=O)CCC2=CC=CC=C2)CCCC3=CC=C(C=C3)OC(C)(C)C(=O)OC

InChI

InChI=1S/C27H35N3O4/c1-5-19-29-24(28-30(26(29)32)20-18-21-10-7-6-8-11-21)13-9-12-22-14-16-23(17-15-22)34-27(2,3)25(31)33-4/h6-8,10-11,14-17H,5,9,12-13,18-20H2,1-4H3