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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(C1=C2CCCN(C2C3=CC=CC=C3N)C(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(C1=C2CCCN(C2C3=CC=CC=C3N)C(=O)O)C(=O)OC(C)(C)C

InChI

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