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

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(3-methylthiophen-2-yl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(3-methyl-2-thienyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(3-methyl-2-thiophenyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(3-methylthiophen-2-yl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(3-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=C(SC=C1)C2=C(C3=C(N2)C=CC(=C3)CC(=O)O)CCCCN

Isomeric SMILES

CC1=C(SC=C1)C2=C(C3=C(N2)C=CC(=C3)CC(=O)O)CCCCN

InChI

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