[2-(butylamino)-2-oxidanylidene-ethyl] 1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 1-oxo-3-phenyl-isochromane-6-carboxylate CAS Name: 1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxylate Traditional Name: 1-keto-3-phenyl-isochroman-6-carboxylic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)OC(C2)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)OC(C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23NO5/c1-2-3-11-23-20(24)14-27-21(25)16-9-10-18-17(12-16)13-19(28-22(18)26)15-7-5-4-6-8-15/h4-10,12,19H,2-3,11,13-14H2,1H3,(H,23,24)