[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-(4-methanoylphenoxy)ethanoate

Systemtic Name: [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-(4-methanoylphenoxy)ethanoate Openeye Name: [(1S)-2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 2-(4-formylphenoxy)acetate CAS Name: 2-(4-formylphenoxy)acetic acid [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-formylphenoxy)acetate Traditional Name: 2-(4-formylphenoxy)acetic acid [(1S)-2-keto-1-methyl-2-(veratrylamino)ethyl] ester Formula: C21H23NO7 MolecularWeight: 401.40982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)OC(=O)COC2=CC=C(C=C2)C=O

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC(=C(C=C1)OC)OC)OC(=O)COC2=CC=C(C=C2)C=O

InChI

InChI=1S/C21H23NO7/c1-14(29-20(24)13-28-17-7-4-15(12-23)5-8-17)21(25)22-11-16-6-9-18(26-2)19(10-16)27-3/h4-10,12,14H,11,13H2,1-3H3,(H,22,25)/t14-/m0/s1