(4-butyl-3,5-diphenyl-pyrazolidin-4-yl)methyl 4-chloranylbenzoate

Systemtic Name: (4-butyl-3,5-diphenyl-pyrazolidin-4-yl)methyl 4-chloranylbenzoate Openeye Name: (4-butyl-3,5-diphenyl-pyrazolidin-4-yl)methyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid (4-butyl-3,5-diphenyl-4-pyrazolidinyl)methyl ester IUPAC Name: (4-butyl-3,5-diphenylpyrazolidin-4-yl)methyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid (4-butyl-3,5-diphenyl-pyrazolidin-4-yl)methyl ester Formula: C27H29ClN2O2 MolecularWeight: 448.98436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(NNC1C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCC1(C(NNC1C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H29ClN2O2/c1-2-3-18-27(19-32-26(31)22-14-16-23(28)17-15-22)24(20-10-6-4-7-11-20)29-30-25(27)21-12-8-5-9-13-21/h4-17,24-25,29-30H,2-3,18-19H2,1H3