[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H18ClNO5 MolecularWeight: 387.81362

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C20H18ClNO5/c21-15-10-13(11-16-18(15)26-9-8-25-16)20(24)27-17(12-4-2-1-3-5-12)19(23)22-14-6-7-14/h1-5,10-11,14,17H,6-9H2,(H,22,23)