3-(4-azanylbutyl)-7-methyl-2-(5-methylthiophen-2-yl)-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-7-methyl-2-(5-methylthiophen-2-yl)-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-methyl-2-(5-methyl-2-thienyl)-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-methyl-2-(5-methyl-2-thiophenyl)-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-methyl-2-(5-methylthiophen-2-yl)-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-methyl-2-(5-methyl-2-thienyl)-1H-indole-4-carboxylic acid Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=CC=C(S3)C)CCCCN

Isomeric SMILES

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=CC=C(S3)C)CCCCN

InChI

InChI=1S/C19H22N2O2S/c1-11-6-8-14(19(22)23)16-13(5-3-4-10-20)18(21-17(11)16)15-9-7-12(2)24-15/h6-9,21H,3-5,10,20H2,1-2H3,(H,22,23)