tert-butyl 4-[[1-[ethoxy(quinolin-8-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[1-[ethoxy(quinolin-8-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[1-[ethoxy(8-quinolyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-[ethoxy(8-quinolinyl)methyl]-2-benzimidazolyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-[ethoxy(quinolin-8-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[1-[ethoxy(8-quinolyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H35N5O3 MolecularWeight: 501.6199

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=CC2=C1N=CC=C2)N3C4=CC=CC=C4N=C3NC5CCN(CC5)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(C1=CC=CC2=C1N=CC=C2)N3C4=CC=CC=C4N=C3NC5CCN(CC5)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H35N5O3/c1-5-36-26(22-12-8-10-20-11-9-17-30-25(20)22)34-24-14-7-6-13-23(24)32-27(34)31-21-15-18-33(19-16-21)28(35)37-29(2,3)4/h6-14,17,21,26H,5,15-16,18-19H2,1-4H3,(H,31,32)