methyl 3-[2-[5-decoxy-6-(3-methoxy-3-oxidanylidene-propyl)pyridin-2-yl]-1-oxidanyl-ethyl]benzoate

Systemtic Name: methyl 3-[2-[5-decoxy-6-(3-methoxy-3-oxidanylidene-propyl)pyridin-2-yl]-1-oxidanyl-ethyl]benzoate Openeye Name: methyl 3-[2-[5-decoxy-6-(3-methoxy-3-oxo-propyl)-2-pyridyl]-1-hydroxy-ethyl]benzoate CAS Name: 3-[2-[5-decoxy-6-(3-methoxy-3-oxopropyl)-2-pyridinyl]-1-hydroxyethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[5-decoxy-6-(3-methoxy-3-oxopropyl)pyridin-2-yl]-1-hydroxyethyl]benzoate Traditional Name: 3-[2-[5-decoxy-6-(3-keto-3-methoxy-propyl)-2-pyridyl]-1-hydroxy-ethyl]benzoic acid methyl ester Formula: C29H41NO6 MolecularWeight: 499.63894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(N=C(C=C1)CC(C2=CC=CC(=C2)C(=O)OC)O)CCC(=O)OC

Isomeric SMILES

CCCCCCCCCCOC1=C(N=C(C=C1)CC(C2=CC=CC(=C2)C(=O)OC)O)CCC(=O)OC

InChI

InChI=1S/C29H41NO6/c1-4-5-6-7-8-9-10-11-19-36-27-17-15-24(30-25(27)16-18-28(32)34-2)21-26(31)22-13-12-14-23(20-22)29(33)35-3/h12-15,17,20,26,31H,4-11,16,18-19,21H2,1-3H3