[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-azanylbenzoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-azanylbenzoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 4-aminobenzoate CAS Name: 4-aminobenzoic acid [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 4-aminobenzoate Traditional Name: 4-aminobenzoic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=C(C=C3)N

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C18H18N2O5/c1-11(25-18(22)13-3-5-14(19)6-4-13)17(21)20-9-12-2-7-15-16(8-12)24-10-23-15/h2-8,11H,9-10,19H2,1H3,(H,20,21)/t11-/m1/s1