octan-2-yl 2-(3,4-dimethylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: octan-2-yl 2-(3,4-dimethylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 1-methylheptyl 2-(3,4-dimethylphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3,4-dimethylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid octan-2-yl ester IUPAC Name: octan-2-yl 2-(3,4-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(3,4-dimethylphenyl)-1,3-diketo-isoindoline-5-carboxylic acid 1-methylheptyl ester Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C25H29NO4/c1-5-6-7-8-9-18(4)30-25(29)19-11-13-21-22(15-19)24(28)26(23(21)27)20-12-10-16(2)17(3)14-20/h10-15,18H,5-9H2,1-4H3