methyl 4-[methyl-[(1-oxidanylidene-3-phenyl-3,4-dihydroisochromen-6-yl)carbonyl]amino]butanoate

Systemtic Name: methyl 4-[methyl-[(1-oxidanylidene-3-phenyl-3,4-dihydroisochromen-6-yl)carbonyl]amino]butanoate Openeye Name: methyl 4-[methyl-(1-oxo-3-phenyl-isochromane-6-carbonyl)amino]butanoate CAS Name: 4-[methyl-[oxo-(1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-yl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[methyl-(1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl)amino]butanoate Traditional Name: 4-[(1-keto-3-phenyl-isochroman-6-carbonyl)-methyl-amino]butyric acid methyl ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)OC)C(=O)C1=CC2=C(C=C1)C(=O)OC(C2)C3=CC=CC=C3

Isomeric SMILES

CN(CCCC(=O)OC)C(=O)C1=CC2=C(C=C1)C(=O)OC(C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23NO5/c1-23(12-6-9-20(24)27-2)21(25)16-10-11-18-17(13-16)14-19(28-22(18)26)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,19H,6,9,12,14H2,1-2H3