[(2R)-3-(6-azanyl-1,3-benzodioxol-5-yl)-2-oxidanyl-propyl] benzoate

Systemtic Name: [(2R)-3-(6-azanyl-1,3-benzodioxol-5-yl)-2-oxidanyl-propyl] benzoate Openeye Name: [(2R)-3-(6-amino-1,3-benzodioxol-5-yl)-2-hydroxy-propyl] benzoate CAS Name: benzoic acid [(2R)-3-(6-amino-1,3-benzodioxol-5-yl)-2-hydroxypropyl] ester IUPAC Name: [(2R)-3-(6-amino-1,3-benzodioxol-5-yl)-2-hydroxypropyl] benzoate Traditional Name: benzoic acid [(2R)-3-(6-amino-1,3-benzodioxol-5-yl)-2-hydroxy-propyl] ester Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CC(COC(=O)C3=CC=CC=C3)O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C[C@H](COC(=O)C3=CC=CC=C3)O)N

InChI

InChI=1S/C17H17NO5/c18-14-8-16-15(22-10-23-16)7-12(14)6-13(19)9-21-17(20)11-4-2-1-3-5-11/h1-5,7-8,13,19H,6,9-10,18H2/t13-/m1/s1