[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 3-chloro-4-ethoxy-5-methoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-methoxybenzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 3-chloro-4-ethoxy-5-methoxybenzoate Traditional Name: 3-chloro-4-ethoxy-5-methoxy-benzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C16H22ClNO5 MolecularWeight: 343.80258

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC(=C(C(=C1)Cl)OCC)OC

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=CC(=C(C(=C1)Cl)OCC)OC

InChI

InChI=1S/C16H22ClNO5/c1-5-7-18-15(19)10(3)23-16(20)11-8-12(17)14(22-6-2)13(9-11)21-4/h8-10H,5-7H2,1-4H3,(H,18,19)/t10-/m0/s1