4,5-dimethoxy-2-[4-(2-oxidanylidenepropyl)-1-(phenylmethyl)piperidin-3-yl]benzoic acid

Systemtic Name: 4,5-dimethoxy-2-[4-(2-oxidanylidenepropyl)-1-(phenylmethyl)piperidin-3-yl]benzoic acid Openeye Name: 2-(4-acetonyl-1-benzyl-3-piperidyl)-4,5-dimethoxy-benzoic acid CAS Name: 4,5-dimethoxy-2-[4-(2-oxopropyl)-1-(phenylmethyl)-3-piperidinyl]benzoic acid IUPAC Name: 2-[1-benzyl-4-(2-oxopropyl)piperidin-3-yl]-4,5-dimethoxybenzoic acid Traditional Name: 2-(4-acetonyl-1-benzyl-3-piperidyl)-4,5-dimethoxy-benzoic acid Formula: C24H29NO5 MolecularWeight: 411.49076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1CCN(CC1C2=CC(=C(C=C2C(=O)O)OC)OC)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)CC1CCN(CC1C2=CC(=C(C=C2C(=O)O)OC)OC)CC3=CC=CC=C3

InChI

InChI=1S/C24H29NO5/c1-16(26)11-18-9-10-25(14-17-7-5-4-6-8-17)15-21(18)19-12-22(29-2)23(30-3)13-20(19)24(27)28/h4-8,12-13,18,21H,9-11,14-15H2,1-3H3,(H,27,28)