methyl 2-butyl-7-[[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]methyl]-3H-benzimidazole-4-carboxylate

Systemtic Name: methyl 2-butyl-7-[[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]methyl]-3H-benzimidazole-4-carboxylate Openeye Name: methyl 7-[[4-[2-(tert-butoxycarbonylamino)phenyl]phenyl]methyl]-2-butyl-3H-benzimidazole-4-carboxylate CAS Name: 2-butyl-7-[[4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]phenyl]methyl]-3H-benzimidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-butyl-7-[[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]methyl]-3H-benzimidazole-4-carboxylate Traditional Name: 7-[4-[2-(tert-butoxycarbonylamino)phenyl]benzyl]-2-butyl-3H-benzimidazole-4-carboxylic acid methyl ester Formula: C31H35N3O4 MolecularWeight: 513.6273

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=CC(=C2N1)C(=O)OC)CC3=CC=C(C=C3)C4=CC=CC=C4NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=NC2=C(C=CC(=C2N1)C(=O)OC)CC3=CC=C(C=C3)C4=CC=CC=C4NC(=O)OC(C)(C)C

InChI

InChI=1S/C31H35N3O4/c1-6-7-12-26-33-27-22(17-18-24(28(27)34-26)29(35)37-5)19-20-13-15-21(16-14-20)23-10-8-9-11-25(23)32-30(36)38-31(2,3)4/h8-11,13-18H,6-7,12,19H2,1-5H3,(H,32,36)(H,33,34)