[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-keto-2-(4-pyrrolidinoanilino)ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC(=O)[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H22N2O5/c24-20(22-15-7-9-16(10-8-15)23-11-3-4-12-23)14-27-21(25)19-13-26-17-5-1-2-6-18(17)28-19/h1-2,5-10,19H,3-4,11-14H2,(H,22,24)/t19-/m0/s1