propyl 3-[4-[[1-(3-oxidanylidene-3-propoxy-propyl)azepan-4-yl]methyl]azepan-1-yl]propanoate

Systemtic Name: propyl 3-[4-[[1-(3-oxidanylidene-3-propoxy-propyl)azepan-4-yl]methyl]azepan-1-yl]propanoate Openeye Name: propyl 3-[4-[[1-(3-oxo-3-propoxy-propyl)azepan-4-yl]methyl]azepan-1-yl]propanoate CAS Name: 3-[4-[[1-(3-oxo-3-propoxypropyl)-4-azepanyl]methyl]-1-azepanyl]propanoic acid propyl ester IUPAC Name: propyl 3-[4-[[1-(3-oxo-3-propoxypropyl)azepan-4-yl]methyl]azepan-1-yl]propanoate Traditional Name: 3-[4-[[1-(3-keto-3-propoxy-propyl)azepan-4-yl]methyl]azepan-1-yl]propionic acid propyl ester Formula: C25H46N2O4 MolecularWeight: 438.64374

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCN1CCCC(CC1)CC2CCCN(CC2)CCC(=O)OCCC

Isomeric SMILES

CCCOC(=O)CCN1CCCC(CC1)CC2CCCN(CC2)CCC(=O)OCCC

InChI

InChI=1S/C25H46N2O4/c1-3-19-30-24(28)11-17-26-13-5-7-22(9-15-26)21-23-8-6-14-27(16-10-23)18-12-25(29)31-20-4-2/h22-23H,3-21H2,1-2H3