3-(4-azanylbutyl)-7-methyl-2-thiophen-2-yl-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-7-methyl-2-thiophen-2-yl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-methyl-2-(2-thienyl)-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-methyl-2-thiophen-2-yl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-methyl-2-thiophen-2-yl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-methyl-2-(2-thienyl)-1H-indole-4-carboxylic acid Formula: C18H20N2O2S MolecularWeight: 328.4286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=CC=CS3)CCCCN

Isomeric SMILES

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=CC=CS3)CCCCN

InChI

InChI=1S/C18H20N2O2S/c1-11-7-8-13(18(21)22)15-12(5-2-3-9-19)17(20-16(11)15)14-6-4-10-23-14/h4,6-8,10,20H,2-3,5,9,19H2,1H3,(H,21,22)