ethyl 4-[[(3S)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromen-6-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[(3S)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromen-6-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-oxo-3-phenyl-isochromane-6-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[(3S)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-keto-3-phenyl-isochroman-6-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H24N2O5 MolecularWeight: 408.44706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)O[C@@H](C3)C4=CC=CC=C4

InChI

InChI=1S/C23H24N2O5/c1-2-29-23(28)25-12-10-24(11-13-25)21(26)17-8-9-19-18(14-17)15-20(30-22(19)27)16-6-4-3-5-7-16/h3-9,14,20H,2,10-13,15H2,1H3/t20-/m0/s1