methyl 4-[(2S)-3-[(3-chlorophenyl)methylamino]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[(2S)-3-[(3-chlorophenyl)methylamino]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[(2S)-3-[(3-chlorophenyl)methylamino]-2-hydroxy-propoxy]benzoate CAS Name: 4-[(2S)-3-[(3-chlorophenyl)methylamino]-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-3-[(3-chlorophenyl)methylamino]-2-hydroxypropoxy]benzoate Traditional Name: 4-[(2S)-3-[(3-chlorobenzyl)amino]-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C18H20ClNO4 MolecularWeight: 349.8087

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(CNCC2=CC(=CC=C2)Cl)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC[C@H](CNCC2=CC(=CC=C2)Cl)O

InChI

InChI=1S/C18H20ClNO4/c1-23-18(22)14-5-7-17(8-6-14)24-12-16(21)11-20-10-13-3-2-4-15(19)9-13/h2-9,16,20-21H,10-12H2,1H3/t16-/m0/s1