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

Systemtic Name: tert-butyl 4-[3-[(4-cyanonaphthalen-1-yl)methyl]-2-methyl-6-nitro-benzimidazol-5-yl]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(4-cyano-1-naphthyl)methyl]-2-methyl-6-nitro-benzimidazol-5-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[3-[(4-cyano-1-naphthalenyl)methyl]-2-methyl-6-nitro-5-benzimidazolyl]oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(4-cyanonaphthalen-1-yl)methyl]-2-methyl-6-nitrobenzimidazol-5-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[3-[(4-cyano-1-naphthyl)methyl]-2-methyl-6-nitro-benzimidazol-5-yl]oxypiperidine-1-carboxylic acid tert-butyl ester Formula: C30H31N5O5 MolecularWeight: 541.59764

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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)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC(=C(C=C2N1CC3=CC=C(C4=CC=CC=C34)C#N)OC5CCN(CC5)C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C30H31N5O5/c1-19-32-25-15-27(35(37)38)28(39-22-11-13-33(14-12-22)29(36)40-30(2,3)4)16-26(25)34(19)18-21-10-9-20(17-31)23-7-5-6-8-24(21)23/h5-10,15-16,22H,11-14,18H2,1-4H3