3-[2,4-dimethyl-6-[(2S)-pyrrolidin-2-yl]carbonyloxy-phenyl]-3-methyl-butanoic acid

Systemtic Name: 3-[2,4-dimethyl-6-[(2S)-pyrrolidin-2-yl]carbonyloxy-phenyl]-3-methyl-butanoic acid Openeye Name: 3-[2,4-dimethyl-6-[(2S)-pyrrolidine-2-carbonyl]oxy-phenyl]-3-methyl-butanoic acid CAS Name: 3-[2,4-dimethyl-6-[oxo-[(2S)-2-pyrrolidinyl]methoxy]phenyl]-3-methylbutanoic acid IUPAC Name: 3-[2,4-dimethyl-6-[(2S)-pyrrolidine-2-carbonyl]oxyphenyl]-3-methylbutanoic acid Traditional Name: 3-[2,4-dimethyl-6-[(2S)-prolyl]oxy-phenyl]-3-methyl-butyric acid Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC(=O)C2CCCN2)C(C)(C)CC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC(=O)[C@@H]2CCCN2)C(C)(C)CC(=O)O)C

InChI

InChI=1S/C18H25NO4/c1-11-8-12(2)16(18(3,4)10-15(20)21)14(9-11)23-17(22)13-6-5-7-19-13/h8-9,13,19H,5-7,10H2,1-4H3,(H,20,21)/t13-/m0/s1