3-[methyl-[3-[4-(thiophen-2-ylmethyl)phenoxy]propyl]amino]propanoic acid

Systemtic Name: 3-[methyl-[3-[4-(thiophen-2-ylmethyl)phenoxy]propyl]amino]propanoic acid Openeye Name: 3-[methyl-[3-[4-(2-thienylmethyl)phenoxy]propyl]amino]propanoic acid CAS Name: 3-[methyl-[3-[4-(thiophen-2-ylmethyl)phenoxy]propyl]amino]propanoic acid IUPAC Name: 3-[methyl-[3-[4-(thiophen-2-ylmethyl)phenoxy]propyl]amino]propanoic acid Traditional Name: 3-[methyl-[3-[4-(2-thenyl)phenoxy]propyl]amino]propionic acid Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCOC1=CC=C(C=C1)CC2=CC=CS2)CCC(=O)O

Isomeric SMILES

CN(CCCOC1=CC=C(C=C1)CC2=CC=CS2)CCC(=O)O

InChI

InChI=1S/C18H23NO3S/c1-19(11-9-18(20)21)10-3-12-22-16-7-5-15(6-8-16)14-17-4-2-13-23-17/h2,4-8,13H,3,9-12,14H2,1H3,(H,20,21)