3-(3-cyanophenyl)-5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxymethyl]benzoic acid

Systemtic Name: 3-(3-cyanophenyl)-5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxymethyl]benzoic acid Openeye Name: 3-[(1-tert-butoxycarbonyl-4-piperidyl)methoxymethyl]-5-(3-cyanophenyl)benzoic acid CAS Name: 3-(3-cyanophenyl)-5-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]methoxymethyl]benzoic acid IUPAC Name: 3-(3-cyanophenyl)-5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxymethyl]benzoic acid Traditional Name: 3-[(1-tert-butoxycarbonyl-4-piperidyl)methoxymethyl]-5-(3-cyanophenyl)benzoic acid Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)COCC2=CC(=CC(=C2)C(=O)O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)COCC2=CC(=CC(=C2)C(=O)O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C26H30N2O5/c1-26(2,3)33-25(31)28-9-7-18(8-10-28)16-32-17-20-12-22(14-23(13-20)24(29)30)21-6-4-5-19(11-21)15-27/h4-6,11-14,18H,7-10,16-17H2,1-3H3,(H,29,30)