[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 3-(4,7-dimethyl-2-oxidanylidene-chromen-3-yl)propanoate

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 3-(4,7-dimethyl-2-oxidanylidene-chromen-3-yl)propanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 3-(4,7-dimethyl-2-oxo-chromen-3-yl)propanoate CAS Name: 3-(4,7-dimethyl-2-oxo-1-benzopyran-3-yl)propanoic acid [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 3-(4,7-dimethyl-2-oxochromen-3-yl)propanoate Traditional Name: 3-(2-keto-4,7-dimethyl-chromen-3-yl)propionic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C26H27NO5 MolecularWeight: 433.49628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(=O)OC(C)C(=O)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(=O)OC(C)C(=O)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C26H27NO5/c1-16-8-9-21-17(2)22(26(30)32-23(21)14-16)10-11-24(28)31-18(3)25(29)27-13-12-19-6-4-5-7-20(19)15-27/h4-9,14,18H,10-13,15H2,1-3H3