tert-butyl 4-[(3Z,5E,7E)-1-methanoyl-6-(oxan-2-yloxymethyl)-2H-azocin-7-yl]-2-methyl-4-oxidanylidene-butanoate

Systemtic Name: tert-butyl 4-[(3Z,5E,7E)-1-methanoyl-6-(oxan-2-yloxymethyl)-2H-azocin-7-yl]-2-methyl-4-oxidanylidene-butanoate Openeye Name: tert-butyl 4-[(3Z,5E,7E)-1-formyl-6-(tetrahydropyran-2-yloxymethyl)-2H-azocin-7-yl]-2-methyl-4-oxo-butanoate CAS Name: 4-[(3Z,5E,7E)-1-formyl-6-(2-oxanyloxymethyl)-2H-azocin-7-yl]-2-methyl-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3Z,5E,7E)-1-formyl-6-(oxan-2-yloxymethyl)-2H-azocin-7-yl]-2-methyl-4-oxobutanoate Traditional Name: 4-[(3Z,5E,7E)-1-formyl-6-(tetrahydropyran-2-yloxymethyl)-2H-azocin-7-yl]-4-keto-2-methyl-butyric acid tert-butyl ester Formula: C23H33NO6 MolecularWeight: 419.51122

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CN(CC=CC=C1COC2CCCCO2)C=O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(CC(=O)/C/1=C/N(C/C=C/C=C1/COC2CCCCO2)C=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H33NO6/c1-17(22(27)30-23(2,3)4)13-20(26)19-14-24(16-25)11-7-5-9-18(19)15-29-21-10-6-8-12-28-21/h5,7,9,14,16-17,21H,6,8,10-13,15H2,1-4H3/b7-5-,18-9-,19-14+