methyl 4-[8-methoxy-8-oxidanylidene-1-[2-(4-phenylbutoxy)phenyl]octan-3-yl]oxybenzoate

Systemtic Name: methyl 4-[8-methoxy-8-oxidanylidene-1-[2-(4-phenylbutoxy)phenyl]octan-3-yl]oxybenzoate Openeye Name: methyl 4-[6-methoxy-6-oxo-1-[2-[2-(4-phenylbutoxy)phenyl]ethyl]hexoxy]benzoate CAS Name: 4-[8-methoxy-8-oxo-1-[2-(4-phenylbutoxy)phenyl]octan-3-yl]oxybenzoic acid methyl ester IUPAC Name: methyl 4-[8-methoxy-8-oxo-1-[2-(4-phenylbutoxy)phenyl]octan-3-yl]oxybenzoate Traditional Name: 4-[6-keto-6-methoxy-1-[2-[2-(4-phenylbutoxy)phenyl]ethyl]hexoxy]benzoic acid methyl ester Formula: C33H40O6 MolecularWeight: 532.6671

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC(CCC1=CC=CC=C1OCCCCC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC(=O)CCCCC(CCC1=CC=CC=C1OCCCCC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C33H40O6/c1-36-32(34)18-9-7-16-29(39-30-23-20-28(21-24-30)33(35)37-2)22-19-27-15-6-8-17-31(27)38-25-11-10-14-26-12-4-3-5-13-26/h3-6,8,12-13,15,17,20-21,23-24,29H,7,9-11,14,16,18-19,22,25H2,1-2H3