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

Systemtic Name: ethyl 1-[(1-oxidanylidene-3-phenyl-3,4-dihydroisochromen-6-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(1-oxo-3-phenyl-isochromane-6-carbonyl)piperidine-3-carboxylate CAS Name: 1-[oxo-(1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-yl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(1-keto-3-phenyl-isochroman-6-carbonyl)nipecotic acid ethyl ester Formula: C24H25NO5 MolecularWeight: 407.459

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4

InChI

InChI=1S/C24H25NO5/c1-2-29-23(27)18-9-6-12-25(15-18)22(26)17-10-11-20-19(13-17)14-21(30-24(20)28)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,18,21H,2,6,9,12,14-15H2,1H3