ethyl 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[(3,4-dimethoxyphenyl)methylamino]ethanoate

Systemtic Name: ethyl 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[(3,4-dimethoxyphenyl)methylamino]ethanoate Openeye Name: ethyl 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[(3,4-dimethoxyphenyl)methylamino]acetate CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(3,4-dimethoxyphenyl)methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(3,4-dimethoxyphenyl)methylamino]acetate Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(veratrylamino)acetic acid ethyl ester Formula: C27H39NO5 MolecularWeight: 457.60226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)C(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)NCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C27H39NO5/c1-10-33-25(30)23(28-16-17-11-12-21(31-8)22(13-17)32-9)18-14-19(26(2,3)4)24(29)20(15-18)27(5,6)7/h11-15,23,28-29H,10,16H2,1-9H3