3-[(4-dimethylaminophenyl)methylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[(4-dimethylaminophenyl)methylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(4-dimethylaminophenyl)methylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(4-dimethylaminophenyl)methylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(4-dimethylaminophenyl)methylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[4-(dimethylamino)benzyl]amino]-3-(2-thienyl)propionic acid Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(CC(=O)O)C2=CC=CS2

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(CC(=O)O)C2=CC=CS2

InChI

InChI=1S/C16H20N2O2S/c1-18(2)13-7-5-12(6-8-13)11-17-14(10-16(19)20)15-4-3-9-21-15/h3-9,14,17H,10-11H2,1-2H3,(H,19,20)