(2R,4S)-4-methoxy-1-(4-methyl-3-oxidanyl-phenyl)carbonyl-pyrrolidine-2-carboxylate

Systemtic Name: (2R,4S)-4-methoxy-1-(4-methyl-3-oxidanyl-phenyl)carbonyl-pyrrolidine-2-carboxylate Openeye Name: (2R,4S)-1-(3-hydroxy-4-methyl-benzoyl)-4-methoxy-pyrrolidine-2-carboxylate CAS Name: (2R,4S)-1-[(3-hydroxy-4-methylphenyl)-oxomethyl]-4-methoxy-2-pyrrolidinecarboxylate IUPAC Name: (2R,4S)-1-(3-hydroxy-4-methylbenzoyl)-4-methoxypyrrolidine-2-carboxylate Traditional Name: (2R,4S)-1-(3-hydroxy-4-methyl-benzoyl)-4-methoxy-pyrrolidine-2-carboxylate Formula: C14H16NO5- MolecularWeight: 278.28054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC(CC2C(=O)[O-])OC)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2C[C@H](C[C@@H]2C(=O)[O-])OC)O

InChI

InChI=1S/C14H17NO5/c1-8-3-4-9(5-12(8)16)13(17)15-7-10(20-2)6-11(15)14(18)19/h3-5,10-11,16H,6-7H2,1-2H3,(H,18,19)/p-1/t10-,11+/m0/s1