4-[3-[5-(4-azanyl-3-methyl-4-oxidanyl-butyl)thiophen-2-yl]prop-2-ynoxy]benzoic acid

Systemtic Name: 4-[3-[5-(4-azanyl-3-methyl-4-oxidanyl-butyl)thiophen-2-yl]prop-2-ynoxy]benzoic acid Openeye Name: 4-[3-[5-(4-amino-4-hydroxy-3-methyl-butyl)-2-thienyl]prop-2-ynoxy]benzoic acid CAS Name: 4-[3-[5-(4-amino-4-hydroxy-3-methylbutyl)-2-thiophenyl]prop-2-ynoxy]benzoic acid IUPAC Name: 4-[3-[5-(4-amino-4-hydroxy-3-methylbutyl)thiophen-2-yl]prop-2-ynoxy]benzoic acid Traditional Name: 4-[3-[5-(4-amino-4-hydroxy-3-methyl-butyl)-2-thienyl]prop-2-ynoxy]benzoic acid Formula: C19H21NO4S MolecularWeight: 359.43934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C#CCOC2=CC=C(C=C2)C(=O)O)C(N)O

Isomeric SMILES

CC(CCC1=CC=C(S1)C#CCOC2=CC=C(C=C2)C(=O)O)C(N)O

InChI

InChI=1S/C19H21NO4S/c1-13(18(20)21)4-9-17-11-10-16(25-17)3-2-12-24-15-7-5-14(6-8-15)19(22)23/h5-8,10-11,13,18,21H,4,9,12,20H2,1H3,(H,22,23)