(E)-1-(4-chloranyl-3-methoxy-phenyl)-5-oxidanyl-7-[1-(phenylmethyl)indol-5-yl]hept-1-en-3-one

Systemtic Name: (E)-1-(4-chloranyl-3-methoxy-phenyl)-5-oxidanyl-7-[1-(phenylmethyl)indol-5-yl]hept-1-en-3-one Openeye Name: (E)-7-(1-benzylindol-5-yl)-1-(4-chloro-3-methoxy-phenyl)-5-hydroxy-hept-1-en-3-one CAS Name: (E)-1-(4-chloro-3-methoxyphenyl)-5-hydroxy-7-[1-(phenylmethyl)-5-indolyl]-1-hepten-3-one IUPAC Name: (E)-7-(1-benzylindol-5-yl)-1-(4-chloro-3-methoxyphenyl)-5-hydroxyhept-1-en-3-one Traditional Name: (E)-7-(1-benzylindol-5-yl)-1-(4-chloro-3-methoxy-phenyl)-5-hydroxy-hept-1-en-3-one Formula: C29H28ClNO3 MolecularWeight: 473.99052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)CC(CCC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4)O)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)CC(CCC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4)O)Cl

InChI

InChI=1S/C29H28ClNO3/c1-34-29-18-22(9-13-27(29)30)8-12-26(33)19-25(32)11-7-21-10-14-28-24(17-21)15-16-31(28)20-23-5-3-2-4-6-23/h2-6,8-10,12-18,25,32H,7,11,19-20H2,1H3/b12-8+