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

Systemtic Name: 4-[3-[[1,3-bis[(2-methylpropan-2-yl)oxycarbonyl]-1,3-diazinan-2-ylidene]amino]phenyl]piperidine-1-carboxylic acid Openeye Name: 4-[3-[[1,3-bis(tert-butoxycarbonyl)hexahydropyrimidin-2-ylidene]amino]phenyl]piperidine-1-carboxylic acid CAS Name: 4-[3-[[1,3-bis[(2-methylpropan-2-yl)oxy-oxomethyl]-1,3-diazinan-2-ylidene]amino]phenyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[3-[[1,3-bis[(2-methylpropan-2-yl)oxycarbonyl]-1,3-diazinan-2-ylidene]amino]phenyl]piperidine-1-carboxylic acid Traditional Name: 4-[3-[[1,3-bis(tert-butoxycarbonyl)hexahydropyrimidin-2-ylidene]amino]phenyl]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=NC2=CC=CC(=C2)C3CCN(CC3)C(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(C1=NC2=CC=CC(=C2)C3CCN(CC3)C(=O)O)C(=O)OC(C)(C)C

InChI

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