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

Systemtic Name: [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-(2-aminocarbonylphenoxy)ethanoate Openeye Name: [(1S)-2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 2-(2-carbamoylphenoxy)acetate CAS Name: 2-(2-carbamoylphenoxy)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-(2-carbamoylphenoxy)acetate Traditional Name: 2-(2-carbamoylphenoxy)acetic acid [(1S)-2-keto-1-methyl-2-(veratrylamino)ethyl] ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)OC(=O)COC2=CC=CC=C2C(=O)N

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC(=C(C=C1)OC)OC)OC(=O)COC2=CC=CC=C2C(=O)N

InChI

InChI=1S/C21H24N2O7/c1-13(21(26)23-11-14-8-9-17(27-2)18(10-14)28-3)30-19(24)12-29-16-7-5-4-6-15(16)20(22)25/h4-10,13H,11-12H2,1-3H3,(H2,22,25)(H,23,26)/t13-/m0/s1