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

Systemtic Name: [2-[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]-2-oxidanylidene-1-phenyl-ethyl] ethanoate Openeye Name: [2-[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methyl-2-pyridyl]-1-piperidyl]-2-oxo-1-phenyl-ethyl] acetate CAS Name: acetic acid [2-[4-[3-[[3-(1-imidazolyl)propylamino]-oxomethyl]-6-methyl-2-pyridinyl]-1-piperidinyl]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methylpyridin-2-yl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate Traditional Name: acetic acid [2-[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methyl-2-pyridyl]piperidino]-2-keto-1-phenyl-ethyl] ester Formula: C28H33N5O4 MolecularWeight: 503.59272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=O)C(C4=CC=CC=C4)OC(=O)C

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=O)C(C4=CC=CC=C4)OC(=O)C

InChI

InChI=1S/C28H33N5O4/c1-20-9-10-24(27(35)30-13-6-15-32-18-14-29-19-32)25(31-20)22-11-16-33(17-12-22)28(36)26(37-21(2)34)23-7-4-3-5-8-23/h3-5,7-10,14,18-19,22,26H,6,11-13,15-17H2,1-2H3,(H,30,35)