ethyl 4-[6-methyl-2-[1-[2-(3-oxidanylidene-1H-2-benzofuran-1-yl)ethanoyl]piperidin-4-yl]pyridin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-methyl-2-[1-[2-(3-oxidanylidene-1H-2-benzofuran-1-yl)ethanoyl]piperidin-4-yl]pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[6-methyl-2-[1-[2-(3-oxo-1H-isobenzofuran-1-yl)acetyl]-4-piperidyl]pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[6-methyl-2-[1-[1-oxo-2-(3-oxo-1H-isobenzofuran-1-yl)ethyl]-4-piperidinyl]-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-methyl-2-[1-[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]piperidin-4-yl]pyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[6-methyl-2-[1-(2-phthalidylacetyl)-4-piperidyl]nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C29H34N4O6 MolecularWeight: 534.60346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)CC4C5=CC=CC=C5C(=O)O4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)CC4C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C29H34N4O6/c1-3-38-29(37)33-16-14-32(15-17-33)27(35)23-9-8-19(2)30-26(23)20-10-12-31(13-11-20)25(34)18-24-21-6-4-5-7-22(21)28(36)39-24/h4-9,20,24H,3,10-18H2,1-2H3