phenyl (2S,4S)-2-[(2,5-dimethylphenyl)carbamoyl]-4-oxidanyl-pyrrolidine-1-carboxylate

Systemtic Name: phenyl (2S,4S)-2-[(2,5-dimethylphenyl)carbamoyl]-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: phenyl (2S,4S)-2-[(2,5-dimethylphenyl)carbamoyl]-4-hydroxy-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-[(2,5-dimethylanilino)-oxomethyl]-4-hydroxy-1-pyrrolidinecarboxylic acid phenyl ester IUPAC Name: phenyl (2S,4S)-2-[(2,5-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-[(2,5-dimethylphenyl)carbamoyl]-4-hydroxy-pyrrolidine-1-carboxylic acid phenyl ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2CC(CN2C(=O)OC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC3=CC=CC=C3)O

InChI

InChI=1S/C20H22N2O4/c1-13-8-9-14(2)17(10-13)21-19(24)18-11-15(23)12-22(18)20(25)26-16-6-4-3-5-7-16/h3-10,15,18,23H,11-12H2,1-2H3,(H,21,24)/t15-,18-/m0/s1