methyl 4-[3-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[3-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[3-[4-(2,4-dimethylbenzoyl)-1-piperidyl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperidinyl]-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-[4-(2,4-dimethylbenzoyl)piperidino]-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)CC(COC3=CC=C(C=C3)C(=O)OC)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)CC(COC3=CC=C(C=C3)C(=O)OC)O)C

InChI

InChI=1S/C25H31NO5/c1-17-4-9-23(18(2)14-17)24(28)19-10-12-26(13-11-19)15-21(27)16-31-22-7-5-20(6-8-22)25(29)30-3/h4-9,14,19,21,27H,10-13,15-16H2,1-3H3