5-(2,2-dimethyl-1-oxidanyl-propyl)-2-[1-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]pentan-3-yl]-1H-imidazole-4-carboxylic acid

Systemtic Name: 5-(2,2-dimethyl-1-oxidanyl-propyl)-2-[1-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]pentan-3-yl]-1H-imidazole-4-carboxylic acid Openeye Name: 2-[3-[4-(2-tert-butoxycarbonylphenyl)phenyl]-1-ethyl-propyl]-5-(1-hydroxy-2,2-dimethyl-propyl)-1H-imidazole-4-carboxylic acid CAS Name: 5-(1-hydroxy-2,2-dimethylpropyl)-2-[1-[4-[2-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]phenyl]pentan-3-yl]-1H-imidazole-4-carboxylic acid IUPAC Name: 5-(1-hydroxy-2,2-dimethylpropyl)-2-[1-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]pentan-3-yl]-1H-imidazole-4-carboxylic acid Traditional Name: 2-[3-[4-(2-tert-butoxycarbonylphenyl)phenyl]-1-ethyl-propyl]-5-(1-hydroxy-2,2-dimethyl-propyl)-1H-imidazole-4-carboxylic acid Formula: C31H40N2O5 MolecularWeight: 520.6597

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC(C)(C)C)C3=NC(=C(N3)C(C(C)(C)C)O)C(=O)O

Isomeric SMILES

CCC(CCC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC(C)(C)C)C3=NC(=C(N3)C(C(C)(C)C)O)C(=O)O

InChI

InChI=1S/C31H40N2O5/c1-8-20(27-32-24(25(33-27)28(35)36)26(34)30(2,3)4)16-13-19-14-17-21(18-15-19)22-11-9-10-12-23(22)29(37)38-31(5,6)7/h9-12,14-15,17-18,20,26,34H,8,13,16H2,1-7H3,(H,32,33)(H,35,36)