[(2S)-1-oxidanylidene-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [(2S)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [(1S)-2-keto-1-methyl-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester Formula: C22H26ClNO5 MolecularWeight: 419.89854

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=C(C(=C2)Cl)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClNO5/c1-5-9-18(15-10-7-6-8-11-15)24-21(25)14(2)29-22(26)16-12-17(23)20(28-4)19(13-16)27-3/h6-8,10-14,18H,5,9H2,1-4H3,(H,24,25)/t14-,18+/m0/s1