[6-(3-azanylpropoxy)-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [6-(3-azanylpropoxy)-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [6-(3-aminopropoxy)-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [6-(3-aminopropoxy)-3,4,5-tribenzoyloxy-2-oxanyl]methyl ester IUPAC Name: [6-(3-aminopropoxy)-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [6-(3-aminopropoxy)-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl ester Formula: C37H35NO10 MolecularWeight: 653.6745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OCCCN)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OCCCN)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C37H35NO10/c38-22-13-23-43-37-32(48-36(42)28-20-11-4-12-21-28)31(47-35(41)27-18-9-3-10-19-27)30(46-34(40)26-16-7-2-8-17-26)29(45-37)24-44-33(39)25-14-5-1-6-15-25/h1-12,14-21,29-32,37H,13,22-24,38H2