[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 6-methanoyl-2,3-dimethoxy-benzoate

Systemtic Name: [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 6-methanoyl-2,3-dimethoxy-benzoate Openeye Name: [(1S)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 6-formyl-2,3-dimethoxy-benzoate CAS Name: 6-formyl-2,3-dimethoxybenzoic acid [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 6-formyl-2,3-dimethoxybenzoate Traditional Name: 6-formyl-2,3-dimethoxy-benzoic acid [(1S)-2-keto-1-methyl-2-(p-anisylamino)ethyl] ester Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=C(C=CC(=C2OC)OC)C=O

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=C(C=CC(=C2OC)OC)C=O

InChI

InChI=1S/C21H23NO7/c1-13(20(24)22-11-14-5-8-16(26-2)9-6-14)29-21(25)18-15(12-23)7-10-17(27-3)19(18)28-4/h5-10,12-13H,11H2,1-4H3,(H,22,24)/t13-/m0/s1