3-[1-(2,5-dimethylphenyl)ethylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[1-(2,5-dimethylphenyl)ethylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[1-(2,5-dimethylphenyl)ethylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[1-(2,5-dimethylphenyl)ethylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[1-(2,5-dimethylphenyl)ethylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[1-(2,5-dimethylphenyl)ethylamino]-3-(2-thienyl)propionic acid Formula: C17H21NO2S MolecularWeight: 303.41914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C)NC(CC(=O)O)C2=CC=CS2

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C)NC(CC(=O)O)C2=CC=CS2

InChI

InChI=1S/C17H21NO2S/c1-11-6-7-12(2)14(9-11)13(3)18-15(10-17(19)20)16-5-4-8-21-16/h4-9,13,15,18H,10H2,1-3H3,(H,19,20)