methyl 2-[2-[1-(4-cyanobutyl)piperidin-4-yl]carbonylbenzimidazol-1-yl]-2-methoxy-propanoate

Systemtic Name: methyl 2-[2-[1-(4-cyanobutyl)piperidin-4-yl]carbonylbenzimidazol-1-yl]-2-methoxy-propanoate Openeye Name: methyl 2-[2-[1-(4-cyanobutyl)piperidine-4-carbonyl]benzimidazol-1-yl]-2-methoxy-propanoate CAS Name: 2-[2-[[1-(4-cyanobutyl)-4-piperidinyl]-oxomethyl]-1-benzimidazolyl]-2-methoxypropanoic acid methyl ester IUPAC Name: methyl 2-[2-[1-(4-cyanobutyl)piperidine-4-carbonyl]benzimidazol-1-yl]-2-methoxypropanoate Traditional Name: 2-[2-[1-(4-cyanobutyl)isonipecotoyl]benzimidazol-1-yl]-2-methoxy-propionic acid methyl ester Formula: C23H30N4O4 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)(N1C2=CC=CC=C2N=C1C(=O)C3CCN(CC3)CCCCC#N)OC

Isomeric SMILES

CC(C(=O)OC)(N1C2=CC=CC=C2N=C1C(=O)C3CCN(CC3)CCCCC#N)OC

InChI

InChI=1S/C23H30N4O4/c1-23(31-3,22(29)30-2)27-19-10-6-5-9-18(19)25-21(27)20(28)17-11-15-26(16-12-17)14-8-4-7-13-24/h5-6,9-10,17H,4,7-8,11-12,14-16H2,1-3H3