methyl 2-[[4-[3-(1,3-dihydroisoindol-2-ylcarbonyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[[4-[3-(1,3-dihydroisoindol-2-ylcarbonyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[4-[3-(isoindoline-2-carbonyl)-6-methyl-2-pyridyl]piperidine-1-carbonyl]amino]-4-methyl-pentanoate CAS Name: 2-[[[4-[3-[1,3-dihydroisoindol-2-yl(oxo)methyl]-6-methyl-2-pyridinyl]-1-piperidinyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methylpyridin-2-yl]piperidine-1-carbonyl]amino]-4-methylpentanoate Traditional Name: 2-[[4-[3-(isoindoline-2-carbonyl)-6-methyl-2-pyridyl]piperidine-1-carbonyl]amino]-4-methyl-valeric acid methyl ester Formula: C28H36N4O4 MolecularWeight: 492.60984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)N2CC3=CC=CC=C3C2)C4CCN(CC4)C(=O)NC(CC(C)C)C(=O)OC

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)N2CC3=CC=CC=C3C2)C4CCN(CC4)C(=O)NC(CC(C)C)C(=O)OC

InChI

InChI=1S/C28H36N4O4/c1-18(2)15-24(27(34)36-4)30-28(35)31-13-11-20(12-14-31)25-23(10-9-19(3)29-25)26(33)32-16-21-7-5-6-8-22(21)17-32/h5-10,18,20,24H,11-17H2,1-4H3,(H,30,35)