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

Systemtic Name: [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] (3S)-3-phenylbutanoate Openeye Name: [(1R)-2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid [(1R)-2-keto-1-methyl-2-(veratrylamino)ethyl] ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5/c1-15(18-8-6-5-7-9-18)12-21(24)28-16(2)22(25)23-14-17-10-11-19(26-3)20(13-17)27-4/h5-11,13,15-16H,12,14H2,1-4H3,(H,23,25)/t15-,16+/m0/s1