[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxidanylidene-ethyl] 4-acetamidobenzoate

Systemtic Name: [2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxidanylidene-ethyl] 4-acetamidobenzoate Openeye Name: [2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxo-ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid [2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [2-[ethyl(piperonyl)amino]-2-keto-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)COC(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)COC(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H22N2O6/c1-3-23(11-15-4-9-18-19(10-15)29-13-28-18)20(25)12-27-21(26)16-5-7-17(8-6-16)22-14(2)24/h4-10H,3,11-13H2,1-2H3,(H,22,24)