3-[[3-(2-azanylethyl)-5-(1-benzothiophen-2-yl)indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[3-(2-azanylethyl)-5-(1-benzothiophen-2-yl)indol-1-yl]methyl]benzoic acid Openeye Name: 3-[[3-(2-aminoethyl)-5-(benzothiophen-2-yl)indol-1-yl]methyl]benzoic acid CAS Name: 3-[[3-(2-aminoethyl)-5-(1-benzothiophen-2-yl)-1-indolyl]methyl]benzoic acid IUPAC Name: 3-[[3-(2-aminoethyl)-5-(1-benzothiophen-2-yl)indol-1-yl]methyl]benzoic acid Traditional Name: 3-[[3-(2-aminoethyl)-5-(benzothiophen-2-yl)indol-1-yl]methyl]benzoic acid Formula: C26H22N2O2S MolecularWeight: 426.53008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C3=CC4=C(C=C3)N(C=C4CCN)CC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C3=CC4=C(C=C3)N(C=C4CCN)CC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C26H22N2O2S/c27-11-10-21-16-28(15-17-4-3-6-20(12-17)26(29)30)23-9-8-19(13-22(21)23)25-14-18-5-1-2-7-24(18)31-25/h1-9,12-14,16H,10-11,15,27H2,(H,29,30)