tert-butyl (4S)-4-(3-dodecylphenyl)carbonyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Systemtic Name: tert-butyl (4S)-4-(3-dodecylphenyl)carbonyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate Openeye Name: tert-butyl (4S)-4-(3-dodecylbenzoyl)-2,2-dimethyl-oxazolidine-3-carboxylate CAS Name: (4S)-4-[(3-dodecylphenyl)-oxomethyl]-2,2-dimethyl-3-oxazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-4-(3-dodecylbenzoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate Traditional Name: (4S)-4-(3-laurylbenzoyl)-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester Formula: C29H47NO4 MolecularWeight: 473.68778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC(=C1)C(=O)C2COC(N2C(=O)OC(C)(C)C)(C)C

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC(=C1)C(=O)[C@@H]2COC(N2C(=O)OC(C)(C)C)(C)C

InChI

InChI=1S/C29H47NO4/c1-7-8-9-10-11-12-13-14-15-16-18-23-19-17-20-24(21-23)26(31)25-22-33-29(5,6)30(25)27(32)34-28(2,3)4/h17,19-21,25H,7-16,18,22H2,1-6H3/t25-/m0/s1