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

Systemtic Name: 3-[(3-methylphenyl)methylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-(m-tolylmethylamino)-3-(2-thienyl)propanoic acid CAS Name: 3-[(3-methylphenyl)methylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(3-methylphenyl)methylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(3-methylbenzyl)amino]-3-(2-thienyl)propionic acid Formula: C15H17NO2S MolecularWeight: 275.36598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(CC(=O)O)C2=CC=CS2

Isomeric SMILES

CC1=CC(=CC=C1)CNC(CC(=O)O)C2=CC=CS2

InChI

InChI=1S/C15H17NO2S/c1-11-4-2-5-12(8-11)10-16-13(9-15(17)18)14-6-3-7-19-14/h2-8,13,16H,9-10H2,1H3,(H,17,18)