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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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