1-benzothiophen-3-yl-[2-(4-hydroxyphenyl)-6-oxidanyl-4-[2-oxidanyl-3-(pentylamino)propoxy]phenyl]methanone

Systemtic Name: 1-benzothiophen-3-yl-[2-(4-hydroxyphenyl)-6-oxidanyl-4-[2-oxidanyl-3-(pentylamino)propoxy]phenyl]methanone Openeye Name: benzothiophen-3-yl-[2-hydroxy-4-[2-hydroxy-3-(pentylamino)propoxy]-6-(4-hydroxyphenyl)phenyl]methanone CAS Name: 1-benzothiophen-3-yl-[2-hydroxy-4-[2-hydroxy-3-(pentylamino)propoxy]-6-(4-hydroxyphenyl)phenyl]methanone IUPAC Name: 1-benzothiophen-3-yl-[2-hydroxy-4-[2-hydroxy-3-(pentylamino)propoxy]-6-(4-hydroxyphenyl)phenyl]methanone Traditional Name: [4-[3-(amylamino)-2-hydroxy-propoxy]-2-hydroxy-6-(4-hydroxyphenyl)phenyl]-(benzothiophen-3-yl)methanone Formula: C29H31NO5S MolecularWeight: 505.62514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNCC(COC1=CC(=C(C(=C1)C2=CC=C(C=C2)O)C(=O)C3=CSC4=CC=CC=C43)O)O

Isomeric SMILES

CCCCCNCC(COC1=CC(=C(C(=C1)C2=CC=C(C=C2)O)C(=O)C3=CSC4=CC=CC=C43)O)O

InChI

InChI=1S/C29H31NO5S/c1-2-3-6-13-30-16-21(32)17-35-22-14-24(19-9-11-20(31)12-10-19)28(26(33)15-22)29(34)25-18-36-27-8-5-4-7-23(25)27/h4-5,7-12,14-15,18,21,30-33H,2-3,6,13,16-17H2,1H3