[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-oxo-ethyl] 2-isopentyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methylbutyl)-1,3-dioxo-5-isoindolecarboxylic acid [2-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl] 2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-isoamyl-1,3-diketo-isoindoline-5-carboxylic acid [2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C29H30N2O5 MolecularWeight: 486.5589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC(C)C)C

InChI

InChI=1S/C29H30N2O5/c1-17(2)12-13-30-27(33)23-11-8-21(15-25(23)28(30)34)29(35)36-16-26(32)24-14-19(4)31(20(24)5)22-9-6-18(3)7-10-22/h6-11,14-15,17H,12-13,16H2,1-5H3