1-(4-chloranyl-3-methoxy-phenyl)-7-(4-phenoxyphenyl)-5-phenylmethoxy-heptan-3-one

Systemtic Name: 1-(4-chloranyl-3-methoxy-phenyl)-7-(4-phenoxyphenyl)-5-phenylmethoxy-heptan-3-one Openeye Name: 5-benzyloxy-1-(4-chloro-3-methoxy-phenyl)-7-(4-phenoxyphenyl)heptan-3-one CAS Name: 1-(4-chloro-3-methoxyphenyl)-7-(4-phenoxyphenyl)-5-phenylmethoxy-3-heptanone IUPAC Name: 1-(4-chloro-3-methoxyphenyl)-7-(4-phenoxyphenyl)-5-phenylmethoxyheptan-3-one Traditional Name: 5-benzoxy-1-(4-chloro-3-methoxy-phenyl)-7-(4-phenoxyphenyl)heptan-3-one Formula: C33H33ClO4 MolecularWeight: 529.06572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC(=O)CC(CCC2=CC=C(C=C2)OC3=CC=CC=C3)OCC4=CC=CC=C4)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)CCC(=O)CC(CCC2=CC=C(C=C2)OC3=CC=CC=C3)OCC4=CC=CC=C4)Cl

InChI

InChI=1S/C33H33ClO4/c1-36-33-22-26(16-21-32(33)34)12-17-28(35)23-31(37-24-27-8-4-2-5-9-27)20-15-25-13-18-30(19-14-25)38-29-10-6-3-7-11-29/h2-11,13-14,16,18-19,21-22,31H,12,15,17,20,23-24H2,1H3