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

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] (3S)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate Openeye Name: [2-oxo-2-(pentylamino)ethyl] (3S)-1-oxo-3-phenyl-isochromane-6-carboxylate CAS Name: (3S)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxylic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] (3S)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxylate Traditional Name: (3S)-1-keto-3-phenyl-isochroman-6-carboxylic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCNC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)O[C@@H](C2)C3=CC=CC=C3

InChI

InChI=1S/C23H25NO5/c1-2-3-7-12-24-21(25)15-28-22(26)17-10-11-19-18(13-17)14-20(29-23(19)27)16-8-5-4-6-9-16/h4-6,8-11,13,20H,2-3,7,12,14-15H2,1H3,(H,24,25)/t20-/m0/s1