tert-butyl N-aminocarbonyl-N-[2-[2-(4-benzamido-1-methyl-pyrrol-2-yl)-3H-benzimidazol-5-yl]ethyl]carbamate

Systemtic Name: tert-butyl N-aminocarbonyl-N-[2-[2-(4-benzamido-1-methyl-pyrrol-2-yl)-3H-benzimidazol-5-yl]ethyl]carbamate Openeye Name: tert-butyl N-[2-[2-(4-benzamido-1-methyl-pyrrol-2-yl)-3H-benzimidazol-5-yl]ethyl]-N-carbamoyl-carbamate CAS Name: N-[2-[2-(4-benzamido-1-methyl-2-pyrrolyl)-3H-benzimidazol-5-yl]ethyl]-N-carbamoylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[2-(4-benzamido-1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]ethyl]-N-carbamoylcarbamate Traditional Name: N-[2-[2-(4-benzamido-1-methyl-pyrrol-2-yl)-3H-benzimidazol-5-yl]ethyl]-N-carbamoyl-carbamic acid tert-butyl ester Formula: C27H30N6O4 MolecularWeight: 502.5649

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCC1=CC2=C(C=C1)N=C(N2)C3=CC(=CN3C)NC(=O)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N(CCC1=CC2=C(C=C1)N=C(N2)C3=CC(=CN3C)NC(=O)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C27H30N6O4/c1-27(2,3)37-26(36)33(25(28)35)13-12-17-10-11-20-21(14-17)31-23(30-20)22-15-19(16-32(22)4)29-24(34)18-8-6-5-7-9-18/h5-11,14-16H,12-13H2,1-4H3,(H2,28,35)(H,29,34)(H,30,31)