2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(2-thienylmethyl)piperazin-1-yl]acetic acid CAS Name: 2-[1-(carboxymethyl)-5-methoxy-3-indolyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[1-(carboxymethyl)-5-methoxyindol-3-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetic acid Traditional Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(2-thenyl)piperazino]acetic acid Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)CC4=CC=CS4)CC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)CC4=CC=CS4)CC(=O)O

InChI

InChI=1S/C22H25N3O5S/c1-30-15-4-5-19-17(11-15)18(13-25(19)14-20(26)27)21(22(28)29)24-8-6-23(7-9-24)12-16-3-2-10-31-16/h2-5,10-11,13,21H,6-9,12,14H2,1H3,(H,26,27)(H,28,29)