ethyl 4-[2-[1-[2-(3-ethoxy-4-oxidanyl-phenyl)ethanoyl]piperidin-4-yl]-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[1-[2-(3-ethoxy-4-oxidanyl-phenyl)ethanoyl]piperidin-4-yl]-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-[2-(3-ethoxy-4-hydroxy-phenyl)acetyl]-4-piperidyl]-6-methyl-pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[1-[2-(3-ethoxy-4-hydroxyphenyl)-1-oxoethyl]-4-piperidinyl]-6-methyl-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-[2-(3-ethoxy-4-hydroxyphenyl)acetyl]piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[1-[2-(3-ethoxy-4-hydroxy-phenyl)acetyl]-4-piperidyl]-6-methyl-nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C29H38N4O6 MolecularWeight: 538.63522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CC(=O)N2CCC(CC2)C3=C(C=CC(=N3)C)C(=O)N4CCN(CC4)C(=O)OCC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CC(=O)N2CCC(CC2)C3=C(C=CC(=N3)C)C(=O)N4CCN(CC4)C(=O)OCC)O

InChI

InChI=1S/C29H38N4O6/c1-4-38-25-18-21(7-9-24(25)34)19-26(35)31-12-10-22(11-13-31)27-23(8-6-20(3)30-27)28(36)32-14-16-33(17-15-32)29(37)39-5-2/h6-9,18,22,34H,4-5,10-17,19H2,1-3H3