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

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H27NO5 MolecularWeight: 337.41068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)CCC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)CCC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C18H27NO5/c1-12(2)11-19-18(21)13(3)24-17(20)9-7-14-6-8-15(22-4)16(10-14)23-5/h6,8,10,12-13H,7,9,11H2,1-5H3,(H,19,21)/t13-/m0/s1