2-[[1-(4-fluorophenyl)carbonylpiperidin-4-yl]carbonylamino]-3,4,5-trimethoxy-benzoic acid

Systemtic Name: 2-[[1-(4-fluorophenyl)carbonylpiperidin-4-yl]carbonylamino]-3,4,5-trimethoxy-benzoic acid Openeye Name: 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-3,4,5-trimethoxy-benzoic acid CAS Name: 2-[[[1-[(4-fluorophenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]amino]-3,4,5-trimethoxybenzoic acid IUPAC Name: 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-3,4,5-trimethoxybenzoic acid Traditional Name: 2-[[1-(4-fluorobenzoyl)isonipecotoyl]amino]-3,4,5-trimethoxy-benzoic acid Formula: C23H25FN2O7 MolecularWeight: 460.452203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)O)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)O)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F)OC)OC

InChI

InChI=1S/C23H25FN2O7/c1-31-17-12-16(23(29)30)18(20(33-3)19(17)32-2)25-21(27)13-8-10-26(11-9-13)22(28)14-4-6-15(24)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H,25,27)(H,29,30)