3-(1-phenylbutylamino)-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-(1-phenylbutylamino)-3-thiophen-2-yl-propanoic acid Openeye Name: 3-(1-phenylbutylamino)-3-(2-thienyl)propanoic acid CAS Name: 3-(1-phenylbutylamino)-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-(1-phenylbutylamino)-3-thiophen-2-ylpropanoic acid Traditional Name: 3-(1-phenylbutylamino)-3-(2-thienyl)propionic acid Formula: C17H21NO2S MolecularWeight: 303.41914

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(CC(=O)O)C2=CC=CS2

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(CC(=O)O)C2=CC=CS2

InChI

InChI=1S/C17H21NO2S/c1-2-7-14(13-8-4-3-5-9-13)18-15(12-17(19)20)16-10-6-11-21-16/h3-6,8-11,14-15,18H,2,7,12H2,1H3,(H,19,20)