5-[(3-methoxyphenyl)methoxy]-2-[(4-tetradecanoyl-1,4-diazepan-1-yl)methyl]pyran-4-one

Systemtic Name: 5-[(3-methoxyphenyl)methoxy]-2-[(4-tetradecanoyl-1,4-diazepan-1-yl)methyl]pyran-4-one Openeye Name: 5-[(3-methoxyphenyl)methoxy]-2-[(4-tetradecanoyl-1,4-diazepan-1-yl)methyl]pyran-4-one CAS Name: 5-[(3-methoxyphenyl)methoxy]-2-[[4-(1-oxotetradecyl)-1,4-diazepan-1-yl]methyl]-4-pyranone IUPAC Name: 5-[(3-methoxyphenyl)methoxy]-2-[(4-tetradecanoyl-1,4-diazepan-1-yl)methyl]pyran-4-one Traditional Name: 5-m-anisyloxy-2-[(4-tetradecanoyl-1,4-diazepan-1-yl)methyl]pyran-4-one Formula: C33H50N2O5 MolecularWeight: 554.7605

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)N1CCCN(CC1)CC2=CC(=O)C(=CO2)OCC3=CC(=CC=C3)OC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)N1CCCN(CC1)CC2=CC(=O)C(=CO2)OCC3=CC(=CC=C3)OC

InChI

InChI=1S/C33H50N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-18-33(37)35-20-15-19-34(21-22-35)25-30-24-31(36)32(27-39-30)40-26-28-16-14-17-29(23-28)38-2/h14,16-17,23-24,27H,3-13,15,18-22,25-26H2,1-2H3