[3-cyclopropyl-5-ethenyl-7-methyl-6,8-bis(oxidanylidene)-2-(phenylmethyl)isoquinolin-7-yl] furan-2-carboxylate

Systemtic Name: [3-cyclopropyl-5-ethenyl-7-methyl-6,8-bis(oxidanylidene)-2-(phenylmethyl)isoquinolin-7-yl] furan-2-carboxylate Openeye Name: (2-benzyl-3-cyclopropyl-7-methyl-6,8-dioxo-5-vinyl-7-isoquinolyl) furan-2-carboxylate CAS Name: 2-furancarboxylic acid [3-cyclopropyl-5-ethenyl-7-methyl-6,8-dioxo-2-(phenylmethyl)-7-isoquinolinyl] ester IUPAC Name: (2-benzyl-3-cyclopropyl-5-ethenyl-7-methyl-6,8-dioxoisoquinolin-7-yl) furan-2-carboxylate Traditional Name: furan-2-carboxylic acid (2-benzyl-3-cyclopropyl-6,8-diketo-7-methyl-5-vinyl-7-isoquinolyl) ester Formula: C27H23NO5 MolecularWeight: 441.47522

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C2=CN(C(=CC2=C(C1=O)C=C)C3CC3)CC4=CC=CC=C4)OC(=O)C5=CC=CO5

Isomeric SMILES

CC1(C(=O)C2=CN(C(=CC2=C(C1=O)C=C)C3CC3)CC4=CC=CC=C4)OC(=O)C5=CC=CO5

InChI

InChI=1S/C27H23NO5/c1-3-19-20-14-22(18-11-12-18)28(15-17-8-5-4-6-9-17)16-21(20)25(30)27(2,24(19)29)33-26(31)23-10-7-13-32-23/h3-10,13-14,16,18H,1,11-12,15H2,2H3