tert-butyl 4-[3-[(4-cyanonaphthalen-1-yl)methyl]-6-[(4-methoxycarbonylphenyl)methylamino]-2-methyl-benzimidazol-5-yl]oxypiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(4-cyanonaphthalen-1-yl)methyl]-6-[(4-methoxycarbonylphenyl)methylamino]-2-methyl-benzimidazol-5-yl]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(4-cyano-1-naphthyl)methyl]-6-[(4-methoxycarbonylphenyl)methylamino]-2-methyl-benzimidazol-5-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[3-[(4-cyano-1-naphthalenyl)methyl]-6-[(4-methoxycarbonylphenyl)methylamino]-2-methyl-5-benzimidazolyl]oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(4-cyanonaphthalen-1-yl)methyl]-6-[(4-methoxycarbonylphenyl)methylamino]-2-methylbenzimidazol-5-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[6-[(4-carbomethoxybenzyl)amino]-3-[(4-cyano-1-naphthyl)methyl]-2-methyl-benzimidazol-5-yl]oxypiperidine-1-carboxylic acid tert-butyl ester Formula: C39H41N5O5 MolecularWeight: 659.77334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=C(C=C2N1CC3=CC=C(C4=CC=CC=C34)C#N)OC5CCN(CC5)C(=O)OC(C)(C)C)NCC6=CC=C(C=C6)C(=O)OC

Isomeric SMILES

CC1=NC2=CC(=C(C=C2N1CC3=CC=C(C4=CC=CC=C34)C#N)OC5CCN(CC5)C(=O)OC(C)(C)C)NCC6=CC=C(C=C6)C(=O)OC

InChI

InChI=1S/C39H41N5O5/c1-25-42-33-20-34(41-23-26-10-12-27(13-11-26)37(45)47-5)36(48-30-16-18-43(19-17-30)38(46)49-39(2,3)4)21-35(33)44(25)24-29-15-14-28(22-40)31-8-6-7-9-32(29)31/h6-15,20-21,30,41H,16-19,23-24H2,1-5H3