tert-butyl N-[(3S)-3-(3,4-dimethoxyphenyl)-3-methanoyl-6-oxidanylidene-heptyl]-N-methyl-carbamate

Systemtic Name: tert-butyl N-[(3S)-3-(3,4-dimethoxyphenyl)-3-methanoyl-6-oxidanylidene-heptyl]-N-methyl-carbamate Openeye Name: tert-butyl N-[(3S)-3-(3,4-dimethoxyphenyl)-3-formyl-6-oxo-heptyl]-N-methyl-carbamate CAS Name: N-[(3S)-3-(3,4-dimethoxyphenyl)-3-formyl-6-oxoheptyl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3S)-3-(3,4-dimethoxyphenyl)-3-formyl-6-oxoheptyl]-N-methylcarbamate Traditional Name: N-[(3S)-3-(3,4-dimethoxyphenyl)-3-formyl-6-keto-heptyl]-N-methyl-carbamic acid tert-butyl ester Formula: C22H33NO6 MolecularWeight: 407.50052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(CCN(C)C(=O)OC(C)(C)C)(C=O)C1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CC(=O)CC[C@@](CCN(C)C(=O)OC(C)(C)C)(C=O)C1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C22H33NO6/c1-16(25)10-11-22(15-24,12-13-23(5)20(26)29-21(2,3)4)17-8-9-18(27-6)19(14-17)28-7/h8-9,14-15H,10-13H2,1-7H3/t22-/m1/s1