[5-acetamido-3,4-bis(phenylmethoxy)-6-prop-2-enoxy-oxan-2-yl]methyl octanoate

Systemtic Name: [5-acetamido-3,4-bis(phenylmethoxy)-6-prop-2-enoxy-oxan-2-yl]methyl octanoate Openeye Name: (5-acetamido-6-allyloxy-3,4-dibenzyloxy-tetrahydropyran-2-yl)methyl octanoate CAS Name: octanoic acid [5-acetamido-3,4-bis(phenylmethoxy)-6-prop-2-enoxy-2-oxanyl]methyl ester IUPAC Name: [5-acetamido-3,4-bis(phenylmethoxy)-6-prop-2-enoxyoxan-2-yl]methyl octanoate Traditional Name: caprylic acid (5-acetamido-6-allyloxy-3,4-dibenzoxy-tetrahydropyran-2-yl)methyl ester Formula: C33H45NO7 MolecularWeight: 567.7129

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC1C(C(C(C(O1)OCC=C)NC(=O)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCC(=O)OCC1C(C(C(C(O1)OCC=C)NC(=O)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C33H45NO7/c1-4-6-7-8-15-20-29(36)38-24-28-31(39-22-26-16-11-9-12-17-26)32(40-23-27-18-13-10-14-19-27)30(34-25(3)35)33(41-28)37-21-5-2/h5,9-14,16-19,28,30-33H,2,4,6-8,15,20-24H2,1,3H3,(H,34,35)