[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H21NO5/c1-14-4-2-3-5-16(14)11-21-19(22)12-24-20(23)9-7-15-6-8-17-18(10-15)26-13-25-17/h2-6,8,10H,7,9,11-13H2,1H3,(H,21,22)