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

Systemtic Name: [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-phenyl-butanoate Openeye Name: [(1S)-2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-oxo-4-phenyl-butanoate CAS Name: 4-oxo-4-phenylbutanoic 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-oxo-4-phenylbutanoate Traditional Name: 4-keto-4-phenyl-butyric acid [(1S)-2-keto-1-methyl-2-(veratrylamino)ethyl] ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO6/c1-15(29-21(25)12-10-18(24)17-7-5-4-6-8-17)22(26)23-14-16-9-11-19(27-2)20(13-16)28-3/h4-9,11,13,15H,10,12,14H2,1-3H3,(H,23,26)/t15-/m0/s1