phenacyl 2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: phenacyl 2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: phenacyl 2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxo-5-isoindolecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-diketo-isoindoline-5-carboxylic acid phenacyl ester Formula: C31H23NO6 MolecularWeight: 505.51742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)OCC(=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)OCC(=O)C5=CC=CC=C5)C

InChI

InChI=1S/C31H23NO6/c1-19-8-12-25(16-20(19)2)38-24-13-10-23(11-14-24)32-29(34)26-15-9-22(17-27(26)30(32)35)31(36)37-18-28(33)21-6-4-3-5-7-21/h3-17H,18H2,1-2H3