1-[3-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2-oxazolidin-5-yl]ethyl 2-azanyl-3-phenyl-propanoate

Systemtic Name: 1-[3-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2-oxazolidin-5-yl]ethyl 2-azanyl-3-phenyl-propanoate Openeye Name: 1-[3-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)isoxazolidin-5-yl]ethyl 2-amino-3-phenyl-propanoate CAS Name: 2-amino-3-phenylpropanoic acid 1-[3-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-5-isoxazolidinyl]ethyl ester IUPAC Name: 1-[3-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-oxazolidin-5-yl]ethyl 2-amino-3-phenylpropanoate Traditional Name: 2-amino-3-phenyl-propionic acid 1-[3-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)isoxazolidin-5-yl]ethyl ester Formula: C28H38N2O4 MolecularWeight: 466.61232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)NO1)OC(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CC(C1CC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)NO1)OC(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C28H38N2O4/c1-17(33-26(32)22(29)13-18-11-9-8-10-12-18)24-16-23(30-34-24)19-14-20(27(2,3)4)25(31)21(15-19)28(5,6)7/h8-12,14-15,17,22,24,30H,13,16,29H2,1-7H3