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

Systemtic Name: 3-[(2,4-dimethylphenyl)methylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(2,4-dimethylphenyl)methylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(2,4-dimethylphenyl)methylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(2,4-dimethylphenyl)methylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(2,4-dimethylbenzyl)amino]-3-(2-thienyl)propionic acid Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO2S/c1-11-5-6-13(12(2)8-11)10-17-14(9-16(18)19)15-4-3-7-20-15/h3-8,14,17H,9-10H2,1-2H3,(H,18,19)