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

Systemtic Name: 3-[(4-propan-2-ylphenyl)methylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(4-isopropylphenyl)methylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(4-propan-2-ylphenyl)methylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(4-propan-2-ylphenyl)methylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(4-isopropylbenzyl)amino]-3-(2-thienyl)propionic acid Formula: C17H21NO2S MolecularWeight: 303.41914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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