[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C17H25NO5 MolecularWeight: 323.3841

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)CCC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO5/c1-5-12(2)18-16(19)11-23-17(20)9-7-13-6-8-14(21-3)15(10-13)22-4/h6,8,10,12H,5,7,9,11H2,1-4H3,(H,18,19)/t12-/m0/s1