[3-oxidanylidene-1-(3-tetradecoxyphenyl)pyrazolidin-4-yl]methyl ethanoate

Systemtic Name: [3-oxidanylidene-1-(3-tetradecoxyphenyl)pyrazolidin-4-yl]methyl ethanoate Openeye Name: [3-oxo-1-(3-tetradecoxyphenyl)pyrazolidin-4-yl]methyl acetate CAS Name: acetic acid [3-oxo-1-(3-tetradecoxyphenyl)-4-pyrazolidinyl]methyl ester IUPAC Name: [3-oxo-1-(3-tetradecoxyphenyl)pyrazolidin-4-yl]methyl acetate Traditional Name: acetic acid [3-keto-1-(3-myristyloxyphenyl)pyrazolidin-4-yl]methyl ester Formula: C26H42N2O4 MolecularWeight: 446.62268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1)N2CC(C(=O)N2)COC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1)N2CC(C(=O)N2)COC(=O)C

InChI

InChI=1S/C26H42N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-31-25-17-15-16-24(19-25)28-20-23(26(30)27-28)21-32-22(2)29/h15-17,19,23H,3-14,18,20-21H2,1-2H3,(H,27,30)