3,4,5-triacetyloxy-6-[4-[4-(phenylmethoxycarbonylamino)butyl]phenoxy]oxane-2-carboxylic acid

Systemtic Name: 3,4,5-triacetyloxy-6-[4-[4-(phenylmethoxycarbonylamino)butyl]phenoxy]oxane-2-carboxylic acid Openeye Name: 3,4,5-triacetoxy-6-[4-[4-(benzyloxycarbonylamino)butyl]phenoxy]tetrahydropyran-2-carboxylic acid CAS Name: 3,4,5-triacetyloxy-6-[4-[4-(phenylmethoxycarbonylamino)butyl]phenoxy]-2-oxanecarboxylic acid IUPAC Name: 3,4,5-triacetyloxy-6-[4-[4-(phenylmethoxycarbonylamino)butyl]phenoxy]oxane-2-carboxylic acid Traditional Name: 3,4,5-triacetoxy-6-[4-[4-(benzyloxycarbonylamino)butyl]phenoxy]tetrahydropyran-2-carboxylic acid Formula: C30H35NO12 MolecularWeight: 601.5984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC(C1OC(=O)C)OC2=CC=C(C=C2)CCCCNC(=O)OCC3=CC=CC=C3)C(=O)O)OC(=O)C

Isomeric SMILES

CC(=O)OC1C(C(OC(C1OC(=O)C)OC2=CC=C(C=C2)CCCCNC(=O)OCC3=CC=CC=C3)C(=O)O)OC(=O)C

InChI

InChI=1S/C30H35NO12/c1-18(32)39-24-25(40-19(2)33)27(41-20(3)34)29(43-26(24)28(35)36)42-23-14-12-21(13-15-23)9-7-8-16-31-30(37)38-17-22-10-5-4-6-11-22/h4-6,10-15,24-27,29H,7-9,16-17H2,1-3H3,(H,31,37)(H,35,36)