2-tert-butyl-3-[(2-cyclopentylethanoylamino)methyl]-4-(methylamino)benzoic acid

Systemtic Name: 2-tert-butyl-3-[(2-cyclopentylethanoylamino)methyl]-4-(methylamino)benzoic acid Openeye Name: 2-tert-butyl-3-[[(2-cyclopentylacetyl)amino]methyl]-4-(methylamino)benzoic acid CAS Name: 2-tert-butyl-3-[[(2-cyclopentyl-1-oxoethyl)amino]methyl]-4-(methylamino)benzoic acid IUPAC Name: 2-tert-butyl-3-[[(2-cyclopentylacetyl)amino]methyl]-4-(methylamino)benzoic acid Traditional Name: 2-tert-butyl-3-[[(2-cyclopentylacetyl)amino]methyl]-4-(methylamino)benzoic acid Formula: C20H30N2O3 MolecularWeight: 346.4638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1CNC(=O)CC2CCCC2)NC)C(=O)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1CNC(=O)CC2CCCC2)NC)C(=O)O

InChI

InChI=1S/C20H30N2O3/c1-20(2,3)18-14(19(24)25)9-10-16(21-4)15(18)12-22-17(23)11-13-7-5-6-8-13/h9-10,13,21H,5-8,11-12H2,1-4H3,(H,22,23)(H,24,25)