3-[(2-tert-butylcyclohexyl)amino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[(2-tert-butylcyclohexyl)amino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(2-tert-butylcyclohexyl)amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(2-tert-butylcyclohexyl)amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(2-tert-butylcyclohexyl)amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(2-tert-butylcyclohexyl)amino]-3-(2-thienyl)propionic acid Formula: C17H27NO2S MolecularWeight: 309.46678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCCCC1NC(CC(=O)O)C2=CC=CS2

Isomeric SMILES

CC(C)(C)C1CCCCC1NC(CC(=O)O)C2=CC=CS2

InChI

InChI=1S/C17H27NO2S/c1-17(2,3)12-7-4-5-8-13(12)18-14(11-16(19)20)15-9-6-10-21-15/h6,9-10,12-14,18H,4-5,7-8,11H2,1-3H3,(H,19,20)