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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC(CC(=O)O)C2=CC=CS2

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(CC(=O)O)C2=CC=CS2

InChI

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