(phenylmethyl) 3-[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]-3-oxidanylidene-propanoate

Systemtic Name: (phenylmethyl) 3-[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]-3-oxidanylidene-propanoate Openeye Name: benzyl 3-[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methyl-2-pyridyl]-1-piperidyl]-3-oxo-propanoate CAS Name: 3-[4-[3-[[3-(1-imidazolyl)propylamino]-oxomethyl]-6-methyl-2-pyridinyl]-1-piperidinyl]-3-oxopropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methylpyridin-2-yl]piperidin-1-yl]-3-oxopropanoate Traditional Name: 3-[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methyl-2-pyridyl]piperidino]-3-keto-propionic acid benzyl 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)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=O)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H33N5O4/c1-21-8-9-24(28(36)30-12-5-14-32-17-13-29-20-32)27(31-21)23-10-15-33(16-11-23)25(34)18-26(35)37-19-22-6-3-2-4-7-22/h2-4,6-9,13,17,20,23H,5,10-12,14-16,18-19H2,1H3,(H,30,36)