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

Systemtic Name: ethyl 4-[[(3S)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromen-6-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[(3S)-1-oxo-3-phenyl-isochromane-6-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[(3S)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-yl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3S)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-1-keto-3-phenyl-isochroman-6-carbonyl]amino]benzoic acid ethyl ester Formula: C25H21NO5 MolecularWeight: 415.43794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)O[C@@H](C3)C4=CC=CC=C4

InChI

InChI=1S/C25H21NO5/c1-2-30-24(28)17-8-11-20(12-9-17)26-23(27)18-10-13-21-19(14-18)15-22(31-25(21)29)16-6-4-3-5-7-16/h3-14,22H,2,15H2,1H3,(H,26,27)/t22-/m0/s1