tert-butyl 3-[6-[[2-[(2-cyanophenyl)-methyl-amino]-1-methyl-benzimidazol-4-yl]methylamino]pyridin-3-yl]propanoate

Systemtic Name: tert-butyl 3-[6-[[2-[(2-cyanophenyl)-methyl-amino]-1-methyl-benzimidazol-4-yl]methylamino]pyridin-3-yl]propanoate Openeye Name: tert-butyl 3-[6-[[2-(2-cyano-N-methyl-anilino)-1-methyl-benzimidazol-4-yl]methylamino]-3-pyridyl]propanoate CAS Name: 3-[6-[[2-(2-cyano-N-methylanilino)-1-methyl-4-benzimidazolyl]methylamino]-3-pyridinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[6-[[2-(2-cyano-N-methylanilino)-1-methylbenzimidazol-4-yl]methylamino]pyridin-3-yl]propanoate Traditional Name: 3-[6-[[2-(2-cyano-N-methyl-anilino)-1-methyl-benzimidazol-4-yl]methylamino]-3-pyridyl]propionic acid tert-butyl ester Formula: C29H32N6O2 MolecularWeight: 496.60338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC1=CN=C(C=C1)NCC2=C3C(=CC=C2)N(C(=N3)N(C)C4=CC=CC=C4C#N)C

Isomeric SMILES

CC(C)(C)OC(=O)CCC1=CN=C(C=C1)NCC2=C3C(=CC=C2)N(C(=N3)N(C)C4=CC=CC=C4C#N)C

InChI

InChI=1S/C29H32N6O2/c1-29(2,3)37-26(36)16-14-20-13-15-25(31-18-20)32-19-22-10-8-12-24-27(22)33-28(35(24)5)34(4)23-11-7-6-9-21(23)17-30/h6-13,15,18H,14,16,19H2,1-5H3,(H,31,32)