[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-chloranyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-chloranyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-chloro-5-methoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-propoxybenzoic acid [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-chloro-5-methoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-methoxy-4-propoxy-benzoic acid [2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C21H24ClNO5 MolecularWeight: 405.87196

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC(C)C2=CC=CC=C2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)N[C@H](C)C2=CC=CC=C2)OC

InChI

InChI=1S/C21H24ClNO5/c1-4-10-27-20-17(22)11-16(12-18(20)26-3)21(25)28-13-19(24)23-14(2)15-8-6-5-7-9-15/h5-9,11-12,14H,4,10,13H2,1-3H3,(H,23,24)/t14-/m1/s1