[7-methyl-6,8-bis(oxidanylidene)-2,3-dihydro-1H-pyrrolo[1,2-b]isoquinolin-7-yl] 3-phenylpropanoate

Systemtic Name: [7-methyl-6,8-bis(oxidanylidene)-2,3-dihydro-1H-pyrrolo[1,2-b]isoquinolin-7-yl] 3-phenylpropanoate Openeye Name: (7-methyl-6,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-b]isoquinolin-7-yl) 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid (7-methyl-6,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-b]isoquinolin-7-yl) ester IUPAC Name: (7-methyl-6,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-b]isoquinolin-7-yl) 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid (6,8-diketo-7-methyl-2,3-dihydro-1H-pyrrol[1,2-b]isoquinolin-7-yl) ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C3CCCN3C=C2C1=O)OC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1(C(=O)C=C2C=C3CCCN3C=C2C1=O)OC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C22H21NO4/c1-22(27-20(25)10-9-15-6-3-2-4-7-15)19(24)13-16-12-17-8-5-11-23(17)14-18(16)21(22)26/h2-4,6-7,12-14H,5,8-11H2,1H3