4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]-phenyl-methyl]benzoic acid

Systemtic Name: 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]-phenyl-methyl]benzoic acid Openeye Name: 4-[(1-tert-butoxycarbonyl-4-piperidylidene)-phenyl-methyl]benzoic acid CAS Name: 4-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinylidene]-phenylmethyl]benzoic acid IUPAC Name: 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]-phenylmethyl]benzoic acid Traditional Name: 4-[(1-tert-butoxycarbonyl-4-piperidylidene)-phenyl-methyl]benzoic acid Formula: C24H27NO4 MolecularWeight: 393.47548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=C(C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O)CC1

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=C(C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O)CC1

InChI

InChI=1S/C24H27NO4/c1-24(2,3)29-23(28)25-15-13-19(14-16-25)21(17-7-5-4-6-8-17)18-9-11-20(12-10-18)22(26)27/h4-12H,13-16H2,1-3H3,(H,26,27)