methyl 3-methoxy-4-[(2S)-2-oxidanyl-3-(pyridin-3-ylmethylamino)propoxy]benzoate

Systemtic Name: methyl 3-methoxy-4-[(2S)-2-oxidanyl-3-(pyridin-3-ylmethylamino)propoxy]benzoate Openeye Name: methyl 4-[(2S)-2-hydroxy-3-(3-pyridylmethylamino)propoxy]-3-methoxy-benzoate CAS Name: 4-[(2S)-2-hydroxy-3-(3-pyridinylmethylamino)propoxy]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-2-hydroxy-3-(pyridin-3-ylmethylamino)propoxy]-3-methoxybenzoate Traditional Name: 4-[(2S)-2-hydroxy-3-(3-pyridylmethylamino)propoxy]-3-methoxy-benzoic acid methyl ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OCC(CNCC2=CN=CC=C2)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OC[C@H](CNCC2=CN=CC=C2)O

InChI

InChI=1S/C18H22N2O5/c1-23-17-8-14(18(22)24-2)5-6-16(17)25-12-15(21)11-20-10-13-4-3-7-19-9-13/h3-9,15,20-21H,10-12H2,1-2H3/t15-/m0/s1