3-(2-azanyl-6,7-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)-5-(3-methylbutyl)thiophene-2-carboxylic acid

Systemtic Name: 3-(2-azanyl-6,7-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)-5-(3-methylbutyl)thiophene-2-carboxylic acid Openeye Name: 3-(2-amino-6,7-dimethoxy-tetralin-2-yl)-5-isopentyl-thiophene-2-carboxylic acid CAS Name: 3-(2-amino-6,7-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)-5-(3-methylbutyl)-2-thiophenecarboxylic acid IUPAC Name: 3-(2-amino-6,7-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)-5-(3-methylbutyl)thiophene-2-carboxylic acid Traditional Name: 3-(2-amino-6,7-dimethoxy-tetralin-2-yl)-5-isoamyl-2-thenoic acid Formula: C22H29NO4S MolecularWeight: 403.53496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC(=C(S1)C(=O)O)C2(CCC3=CC(=C(C=C3C2)OC)OC)N

Isomeric SMILES

CC(C)CCC1=CC(=C(S1)C(=O)O)C2(CCC3=CC(=C(C=C3C2)OC)OC)N

InChI

InChI=1S/C22H29NO4S/c1-13(2)5-6-16-11-17(20(28-16)21(24)25)22(23)8-7-14-9-18(26-3)19(27-4)10-15(14)12-22/h9-11,13H,5-8,12,23H2,1-4H3,(H,24,25)