ethyl 4-[(1-oxidanylidene-6-propan-2-yl-3,4-dihydroisochromen-3-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(1-oxidanylidene-6-propan-2-yl-3,4-dihydroisochromen-3-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(6-isopropyl-1-oxo-isochromane-3-carbonyl)amino]benzoate CAS Name: 4-[[oxo-(1-oxo-6-propan-2-yl-3,4-dihydro-1H-2-benzopyran-3-yl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carbonyl)amino]benzoate Traditional Name: 4-[(6-isopropyl-1-keto-isochroman-3-carbonyl)amino]benzoic acid ethyl ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC3=C(C=CC(=C3)C(C)C)C(=O)O2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC3=C(C=CC(=C3)C(C)C)C(=O)O2

InChI

InChI=1S/C22H23NO5/c1-4-27-21(25)14-5-8-17(9-6-14)23-20(24)19-12-16-11-15(13(2)3)7-10-18(16)22(26)28-19/h5-11,13,19H,4,12H2,1-3H3,(H,23,24)