[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxidanylidene-ethyl] 4-propoxybenzoate

Systemtic Name: [2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxidanylidene-ethyl] 4-propoxybenzoate Openeye Name: [2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxo-ethyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-keto-ethyl] ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC(C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)N[C@H](C)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H23NO6/c1-3-10-25-17-7-4-15(5-8-17)21(24)26-12-20(23)22-14(2)16-6-9-18-19(11-16)28-13-27-18/h4-9,11,14H,3,10,12-13H2,1-2H3,(H,22,23)/t14-/m1/s1