ethyl 2-[[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methyl-2-pyridyl]piperidine-1-carbonyl]amino]acetate CAS Name: 2-[[[4-[3-[[3-(1-imidazolyl)propylamino]-oxomethyl]-6-methyl-2-pyridinyl]-1-piperidinyl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methylpyridin-2-yl]piperidine-1-carbonyl]amino]acetate Traditional Name: 2-[[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methyl-2-pyridyl]piperidine-1-carbonyl]amino]acetic acid ethyl ester Formula: C23H32N6O4 MolecularWeight: 456.53798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)N1CCC(CC1)C2=C(C=CC(=N2)C)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

CCOC(=O)CNC(=O)N1CCC(CC1)C2=C(C=CC(=N2)C)C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C23H32N6O4/c1-3-33-20(30)15-26-23(32)29-12-7-18(8-13-29)21-19(6-5-17(2)27-21)22(31)25-9-4-11-28-14-10-24-16-28/h5-6,10,14,16,18H,3-4,7-9,11-13,15H2,1-2H3,(H,25,31)(H,26,32)