phenyl (3R)-3-[(4S,5R)-3,4-dimethyl-2-oxidanylidene-5-phenyl-imidazolidin-1-yl]decanoate

Systemtic Name: phenyl (3R)-3-[(4S,5R)-3,4-dimethyl-2-oxidanylidene-5-phenyl-imidazolidin-1-yl]decanoate Openeye Name: phenyl (3R)-3-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenyl-imidazolidin-1-yl]decanoate CAS Name: (3R)-3-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenyl-1-imidazolidinyl]decanoic acid phenyl ester IUPAC Name: phenyl (3R)-3-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]decanoate Traditional Name: (3R)-3-[(4S,5R)-2-keto-3,4-dimethyl-5-phenyl-imidazolidin-1-yl]capric acid phenyl ester Formula: C27H36N2O3 MolecularWeight: 436.58634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC(=O)OC1=CC=CC=C1)N2C(C(N(C2=O)C)C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC[C@H](CC(=O)OC1=CC=CC=C1)N2[C@@H]([C@@H](N(C2=O)C)C)C3=CC=CC=C3

InChI

InChI=1S/C27H36N2O3/c1-4-5-6-7-12-17-23(20-25(30)32-24-18-13-9-14-19-24)29-26(21(2)28(3)27(29)31)22-15-10-8-11-16-22/h8-11,13-16,18-19,21,23,26H,4-7,12,17,20H2,1-3H3/t21-,23+,26-/m0/s1