1-[5-[3-azanyl-3-(hydroxymethyl)pentyl]-4-methyl-thiophen-2-yl]-4-(3,4-dimethoxyphenyl)butan-1-one

Systemtic Name: 1-[5-[3-azanyl-3-(hydroxymethyl)pentyl]-4-methyl-thiophen-2-yl]-4-(3,4-dimethoxyphenyl)butan-1-one Openeye Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-4-methyl-2-thienyl]-4-(3,4-dimethoxyphenyl)butan-1-one CAS Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-4-methyl-2-thiophenyl]-4-(3,4-dimethoxyphenyl)-1-butanone IUPAC Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-4-methylthiophen-2-yl]-4-(3,4-dimethoxyphenyl)butan-1-one Traditional Name: 1-[5-(3-amino-3-methylol-pentyl)-4-methyl-2-thienyl]-4-(3,4-dimethoxyphenyl)butan-1-one Formula: C23H33NO4S MolecularWeight: 419.57742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=C(C=C(S1)C(=O)CCCC2=CC(=C(C=C2)OC)OC)C)(CO)N

Isomeric SMILES

CCC(CCC1=C(C=C(S1)C(=O)CCCC2=CC(=C(C=C2)OC)OC)C)(CO)N

InChI

InChI=1S/C23H33NO4S/c1-5-23(24,15-25)12-11-21-16(2)13-22(29-21)18(26)8-6-7-17-9-10-19(27-3)20(14-17)28-4/h9-10,13-14,25H,5-8,11-12,15,24H2,1-4H3