methyl 3-[(4-cyanonaphthalen-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxycarbonyl-piperidin-4-yl-amino]-2-propan-2-yl-benzimidazole-4-carboxylate

Systemtic Name: methyl 3-[(4-cyanonaphthalen-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxycarbonyl-piperidin-4-yl-amino]-2-propan-2-yl-benzimidazole-4-carboxylate Openeye Name: methyl 6-[tert-butoxycarbonyl(4-piperidyl)amino]-3-[(4-cyano-1-naphthyl)methyl]-2-isopropyl-benzimidazole-4-carboxylate CAS Name: 3-[(4-cyano-1-naphthalenyl)methyl]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(4-piperidinyl)amino]-2-propan-2-yl-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-cyanonaphthalen-1-yl)methyl]-6-[(2-methylpropan-2-yl)oxycarbonyl-piperidin-4-ylamino]-2-propan-2-ylbenzimidazole-4-carboxylate Traditional Name: 6-[tert-butoxycarbonyl(4-piperidyl)amino]-3-[(4-cyano-1-naphthyl)methyl]-2-isopropyl-benzimidazole-4-carboxylic acid methyl ester Formula: C34H39N5O4 MolecularWeight: 581.70456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N1CC3=CC=C(C4=CC=CC=C34)C#N)C(=CC(=C2)N(C5CCNCC5)C(=O)OC(C)(C)C)C(=O)OC

Isomeric SMILES

CC(C)C1=NC2=C(N1CC3=CC=C(C4=CC=CC=C34)C#N)C(=CC(=C2)N(C5CCNCC5)C(=O)OC(C)(C)C)C(=O)OC

InChI

InChI=1S/C34H39N5O4/c1-21(2)31-37-29-18-25(39(24-13-15-36-16-14-24)33(41)43-34(3,4)5)17-28(32(40)42-6)30(29)38(31)20-23-12-11-22(19-35)26-9-7-8-10-27(23)26/h7-12,17-18,21,24,36H,13-16,20H2,1-6H3