methyl 3-methyl-4-[[5-octadecoxy-4-oxidanylidene-1-(phenylmethyl)pyridin-2-yl]methyl]piperazine-1-carboxylate

Systemtic Name: methyl 3-methyl-4-[[5-octadecoxy-4-oxidanylidene-1-(phenylmethyl)pyridin-2-yl]methyl]piperazine-1-carboxylate Openeye Name: methyl 4-[(1-benzyl-5-octadecoxy-4-oxo-2-pyridyl)methyl]-3-methyl-piperazine-1-carboxylate CAS Name: 3-methyl-4-[[5-octadecoxy-4-oxo-1-(phenylmethyl)-2-pyridinyl]methyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(1-benzyl-5-octadecoxy-4-oxopyridin-2-yl)methyl]-3-methylpiperazine-1-carboxylate Traditional Name: 4-[(1-benzyl-4-keto-5-stearyloxy-2-pyridyl)methyl]-3-methyl-piperazine-1-carboxylic acid methyl ester Formula: C38H61N3O4 MolecularWeight: 623.90864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CN2CCN(CC2C)C(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CN2CCN(CC2C)C(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C38H61N3O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27-45-37-32-41(30-34-23-20-19-21-24-34)35(28-36(37)42)31-39-25-26-40(29-33(39)2)38(43)44-3/h19-21,23-24,28,32-33H,4-18,22,25-27,29-31H2,1-3H3