[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate

Systemtic Name: [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate Openeye Name: [(1S)-2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-(2-amino-2-oxo-ethoxy)benzoate CAS Name: 4-(2-amino-2-oxoethoxy)benzoic acid [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-(2-amino-2-oxoethoxy)benzoate Traditional Name: 4-(2-amino-2-keto-ethoxy)benzoic 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)C2=CC=C(C=C2)OCC(=O)N

Isomeric SMILES

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

InChI

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