2-[3-(4-azanylbutyl)-2-(5-methylthiophen-2-yl)-1H-indol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(5-methylthiophen-2-yl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(5-methyl-2-thienyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(5-methyl-2-thiophenyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(5-methylthiophen-2-yl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(5-methyl-2-thienyl)-1H-indol-5-yl]acetic acid Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=C(C3=C(N2)C=CC(=C3)CC(=O)O)CCCCN

Isomeric SMILES

CC1=CC=C(S1)C2=C(C3=C(N2)C=CC(=C3)CC(=O)O)CCCCN

InChI

InChI=1S/C19H22N2O2S/c1-12-5-8-17(24-12)19-14(4-2-3-9-20)15-10-13(11-18(22)23)6-7-16(15)21-19/h5-8,10,21H,2-4,9,11,20H2,1H3,(H,22,23)