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

Systemtic Name: [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-phenylfuran-2-carboxylate Openeye Name: [(1S)-2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 3-phenylfuran-2-carboxylate CAS Name: 3-phenyl-2-furancarboxylic acid [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate Traditional Name: 3-phenylfuran-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(veratrylamino)ethyl] ester Formula: C23H23NO6 MolecularWeight: 409.43182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)OC(=O)C2=C(C=CO2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC(=C(C=C1)OC)OC)OC(=O)C2=C(C=CO2)C3=CC=CC=C3

InChI

InChI=1S/C23H23NO6/c1-15(22(25)24-14-16-9-10-19(27-2)20(13-16)28-3)30-23(26)21-18(11-12-29-21)17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H,24,25)/t15-/m0/s1