tert-butyl 4-[(2,4-dimethoxyphenyl)methyl-oxidanyl-amino]-6-methyl-hept-2-ynoate

Systemtic Name: tert-butyl 4-[(2,4-dimethoxyphenyl)methyl-oxidanyl-amino]-6-methyl-hept-2-ynoate Openeye Name: tert-butyl 4-[(2,4-dimethoxyphenyl)methyl-hydroxy-amino]-6-methyl-hept-2-ynoate CAS Name: 4-[(2,4-dimethoxyphenyl)methyl-hydroxyamino]-6-methyl-2-heptynoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2,4-dimethoxyphenyl)methyl-hydroxyamino]-6-methylhept-2-ynoate Traditional Name: 4-[(2,4-dimethoxybenzyl)-hydroxy-amino]-6-methyl-hept-2-ynoic acid tert-butyl ester Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C#CC(=O)OC(C)(C)C)N(CC1=C(C=C(C=C1)OC)OC)O

Isomeric SMILES

CC(C)CC(C#CC(=O)OC(C)(C)C)N(CC1=C(C=C(C=C1)OC)OC)O

InChI

InChI=1S/C21H31NO5/c1-15(2)12-17(9-11-20(23)27-21(3,4)5)22(24)14-16-8-10-18(25-6)13-19(16)26-7/h8,10,13,15,17,24H,12,14H2,1-7H3