2-[5-butanoyl-2,3-dimethyl-4-[oxidanyl(diphenyl)methyl]-6-piperidin-1-yl-phenyl]ethanoic acid

Systemtic Name: 2-[5-butanoyl-2,3-dimethyl-4-[oxidanyl(diphenyl)methyl]-6-piperidin-1-yl-phenyl]ethanoic acid Openeye Name: 2-[5-butanoyl-4-[hydroxy(diphenyl)methyl]-2,3-dimethyl-6-(1-piperidyl)phenyl]acetic acid CAS Name: 2-[4-[hydroxy(diphenyl)methyl]-2,3-dimethyl-5-(1-oxobutyl)-6-(1-piperidinyl)phenyl]acetic acid IUPAC Name: 2-[5-butanoyl-4-[hydroxy(diphenyl)methyl]-2,3-dimethyl-6-piperidin-1-ylphenyl]acetic acid Traditional Name: 2-[5-butyryl-4-[hydroxy(diphenyl)methyl]-2,3-dimethyl-6-piperidino-phenyl]acetic acid Formula: C32H37NO4 MolecularWeight: 499.64048

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(=C(C(=C1N2CCCCC2)CC(=O)O)C)C)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

Isomeric SMILES

CCCC(=O)C1=C(C(=C(C(=C1N2CCCCC2)CC(=O)O)C)C)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C32H37NO4/c1-4-14-27(34)29-30(32(37,24-15-8-5-9-16-24)25-17-10-6-11-18-25)23(3)22(2)26(21-28(35)36)31(29)33-19-12-7-13-20-33/h5-6,8-11,15-18,37H,4,7,12-14,19-21H2,1-3H3,(H,35,36)