1-(2-aminophenyl)-2-[1,3-bis[(2-methylpropan-2-yl)oxycarbonyl]-1,3-diazinan-2-ylidene]piperidine-4-carboxylic acid

Systemtic Name: 1-(2-aminophenyl)-2-[1,3-bis[(2-methylpropan-2-yl)oxycarbonyl]-1,3-diazinan-2-ylidene]piperidine-4-carboxylic acid Openeye Name: 1-(2-aminophenyl)-2-[1,3-bis(tert-butoxycarbonyl)hexahydropyrimidin-2-ylidene]piperidine-4-carboxylic acid CAS Name: 1-(2-aminophenyl)-2-[1,3-bis[(2-methylpropan-2-yl)oxy-oxomethyl]-1,3-diazinan-2-ylidene]-4-piperidinecarboxylic acid IUPAC Name: 1-(2-aminophenyl)-2-[1,3-bis[(2-methylpropan-2-yl)oxycarbonyl]-1,3-diazinan-2-ylidene]piperidine-4-carboxylic acid Traditional Name: 1-(2-aminophenyl)-2-[1,3-bis(tert-butoxycarbonyl)hexahydropyrimidin-2-ylidene]isonipecotic acid Formula: C26H38N4O6 MolecularWeight: 502.60312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(C1=C2CC(CCN2C3=CC=CC=C3N)C(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(C1=C2CC(CCN2C3=CC=CC=C3N)C(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H38N4O6/c1-25(2,3)35-23(33)29-13-9-14-30(24(34)36-26(4,5)6)21(29)20-16-17(22(31)32)12-15-28(20)19-11-8-7-10-18(19)27/h7-8,10-11,17H,9,12-16,27H2,1-6H3,(H,31,32)