2-[2-[4-(1,3-benzodioxol-5-yl)-2-thiophen-2-yl-phenoxy]ethyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[2-[4-(1,3-benzodioxol-5-yl)-2-thiophen-2-yl-phenoxy]ethyl-methyl-amino]ethanoic acid Openeye Name: 2-[2-[4-(1,3-benzodioxol-5-yl)-2-(2-thienyl)phenoxy]ethyl-methyl-amino]acetic acid CAS Name: 2-[2-[4-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylphenoxy]ethyl-methylamino]acetic acid IUPAC Name: 2-[2-[4-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylphenoxy]ethyl-methylamino]acetic acid Traditional Name: 2-[2-[4-(1,3-benzodioxol-5-yl)-2-(2-thienyl)phenoxy]ethyl-methyl-amino]acetic acid Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=C(C=C(C=C1)C2=CC3=C(C=C2)OCO3)C4=CC=CS4)CC(=O)O

Isomeric SMILES

CN(CCOC1=C(C=C(C=C1)C2=CC3=C(C=C2)OCO3)C4=CC=CS4)CC(=O)O

InChI

InChI=1S/C22H21NO5S/c1-23(13-22(24)25)8-9-26-18-6-4-15(11-17(18)21-3-2-10-29-21)16-5-7-19-20(12-16)28-14-27-19/h2-7,10-12H,8-9,13-14H2,1H3,(H,24,25)