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

Systemtic Name: tert-butyl 2-methyl-4-[(3Z,5E,7E)-6-(oxan-2-yloxymethyl)-1,2-dihydroazocin-7-yl]-4-oxidanylidene-butanoate Openeye Name: tert-butyl 2-methyl-4-oxo-4-[(3Z,5E,7E)-6-(tetrahydropyran-2-yloxymethyl)-1,2-dihydroazocin-7-yl]butanoate CAS Name: 2-methyl-4-[(3Z,5E,7E)-6-(2-oxanyloxymethyl)-1,2-dihydroazocin-7-yl]-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-methyl-4-[(3Z,5E,7E)-6-(oxan-2-yloxymethyl)-1,2-dihydroazocin-7-yl]-4-oxobutanoate Traditional Name: 4-keto-2-methyl-4-[(3Z,5E,7E)-6-(tetrahydropyran-2-yloxymethyl)-1,2-dihydroazocin-7-yl]butyric acid tert-butyl ester Formula: C22H33NO5 MolecularWeight: 391.50112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33NO5/c1-16(21(25)28-22(2,3)4)13-19(24)18-14-23-11-7-5-9-17(18)15-27-20-10-6-8-12-26-20/h5,7,9,14,16,20,23H,6,8,10-13,15H2,1-4H3/b7-5-,17-9-,18-14+