2-[3-[1-[2-(1-benzothiophen-2-yl)ethanoyl-methyl-amino]-2-pyrrolidin-1-yl-ethyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[1-[2-(1-benzothiophen-2-yl)ethanoyl-methyl-amino]-2-pyrrolidin-1-yl-ethyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[1-[[2-(benzothiophen-2-yl)acetyl]-methyl-amino]-2-pyrrolidin-1-yl-ethyl]phenoxy]acetic acid CAS Name: 2-[3-[1-[[2-(1-benzothiophen-2-yl)-1-oxoethyl]-methylamino]-2-(1-pyrrolidinyl)ethyl]phenoxy]acetic acid IUPAC Name: 2-[3-[1-[[2-(1-benzothiophen-2-yl)acetyl]-methylamino]-2-pyrrolidin-1-ylethyl]phenoxy]acetic acid Traditional Name: 2-[3-[1-[[2-(benzothiophen-2-yl)acetyl]-methyl-amino]-2-pyrrolidino-ethyl]phenoxy]acetic acid Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CN1CCCC1)C2=CC(=CC=C2)OCC(=O)O)C(=O)CC3=CC4=CC=CC=C4S3

Isomeric SMILES

CN(C(CN1CCCC1)C2=CC(=CC=C2)OCC(=O)O)C(=O)CC3=CC4=CC=CC=C4S3

InChI

InChI=1S/C25H28N2O4S/c1-26(24(28)15-21-14-19-7-2-3-10-23(19)32-21)22(16-27-11-4-5-12-27)18-8-6-9-20(13-18)31-17-25(29)30/h2-3,6-10,13-14,22H,4-5,11-12,15-17H2,1H3,(H,29,30)