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

Systemtic Name: [2-[(2-methyl-1-phenyl-propyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-[(2-methyl-1-phenyl-propyl)amino]-2-oxo-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-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-keto-2-[(2-methyl-1-phenyl-propyl)amino]ethyl] ester Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

CC(C)C(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C21H22ClNO5/c1-13(2)19(14-6-4-3-5-7-14)23-18(24)12-28-21(25)15-10-16(22)20-17(11-15)26-8-9-27-20/h3-7,10-11,13,19H,8-9,12H2,1-2H3,(H,23,24)