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

Systemtic Name: tert-butyl 4-[3-[(4-cyanonaphthalen-1-yl)methyl]-6-[(4-methoxycarbonylphenyl)methylamino]-2-propan-2-yl-benzimidazol-5-yl]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(4-cyano-1-naphthyl)methyl]-2-isopropyl-6-[(4-methoxycarbonylphenyl)methylamino]benzimidazol-5-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[3-[(4-cyano-1-naphthalenyl)methyl]-6-[(4-methoxycarbonylphenyl)methylamino]-2-propan-2-yl-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-propan-2-ylbenzimidazol-5-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[6-[(4-carbomethoxybenzyl)amino]-3-[(4-cyano-1-naphthyl)methyl]-2-isopropyl-benzimidazol-5-yl]oxypiperidine-1-carboxylic acid tert-butyl ester Formula: C41H45N5O5 MolecularWeight: 687.8265

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=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

CC(C)C1=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/C41H45N5O5/c1-26(2)38-44-34-21-35(43-24-27-11-13-28(14-12-27)39(47)49-6)37(50-31-17-19-45(20-18-31)40(48)51-41(3,4)5)22-36(34)46(38)25-30-16-15-29(23-42)32-9-7-8-10-33(30)32/h7-16,21-22,26,31,43H,17-20,24-25H2,1-6H3