[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4-(morpholin-4-ylmethyl)benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4-(morpholin-4-ylmethyl)benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 4-(morpholinomethyl)benzoate CAS Name: 4-(4-morpholinylmethyl)benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate Traditional Name: 4-(morpholinomethyl)benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCCN1CC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O6/c24-20(22-17-5-6-18-19(11-17)29-14-28-18)13-27-21(25)16-3-1-15(2-4-16)12-23-7-9-26-10-8-23/h1-6,11H,7-10,12-14H2,(H,22,24)