[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-(3,5-dimethoxyphenyl)propanoate

Systemtic Name: [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: [(1S)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid [(1S)-2-keto-1-methyl-2-(p-anisylamino)ethyl] ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)CCC2=CC(=CC(=C2)OC)OC

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)OC)OC(=O)CCC2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C22H27NO6/c1-15(22(25)23-14-16-5-8-18(26-2)9-6-16)29-21(24)10-7-17-11-19(27-3)13-20(12-17)28-4/h5-6,8-9,11-13,15H,7,10,14H2,1-4H3,(H,23,25)/t15-/m0/s1