ethyl 4-[(2R)-4-(3,4-dimethylphenoxy)-2-oxidanyl-butyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-4-(3,4-dimethylphenoxy)-2-oxidanyl-butyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2R)-4-(3,4-dimethylphenoxy)-2-hydroxy-butyl]piperazine-1-carboxylate CAS Name: 4-[(2R)-4-(3,4-dimethylphenoxy)-2-hydroxybutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-4-(3,4-dimethylphenoxy)-2-hydroxybutyl]piperazine-1-carboxylate Traditional Name: 4-[(2R)-4-(3,4-dimethylphenoxy)-2-hydroxy-butyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H30N2O4 MolecularWeight: 350.4525

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(CCOC2=CC(=C(C=C2)C)C)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C[C@@H](CCOC2=CC(=C(C=C2)C)C)O

InChI

InChI=1S/C19H30N2O4/c1-4-24-19(23)21-10-8-20(9-11-21)14-17(22)7-12-25-18-6-5-15(2)16(3)13-18/h5-6,13,17,22H,4,7-12,14H2,1-3H3/t17-/m1/s1