[2-(3-ethoxy-3-oxidanylidene-propyl)-4-[[4-(3-methylbutanoyl)-1H-pyrrol-2-yl]carbonyl]phenyl] 3-methylbutanoate

Systemtic Name: [2-(3-ethoxy-3-oxidanylidene-propyl)-4-[[4-(3-methylbutanoyl)-1H-pyrrol-2-yl]carbonyl]phenyl] 3-methylbutanoate Openeye Name: [2-(3-ethoxy-3-oxo-propyl)-4-[4-(3-methylbutanoyl)-1H-pyrrole-2-carbonyl]phenyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [2-(3-ethoxy-3-oxopropyl)-4-[[4-(3-methyl-1-oxobutyl)-1H-pyrrol-2-yl]-oxomethyl]phenyl] ester IUPAC Name: [2-(3-ethoxy-3-oxopropyl)-4-[4-(3-methylbutanoyl)-1H-pyrrole-2-carbonyl]phenyl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [2-(3-ethoxy-3-keto-propyl)-4-(4-isovaleryl-1H-pyrrole-2-carbonyl)phenyl] ester Formula: C26H33NO6 MolecularWeight: 455.54332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C=CC(=C1)C(=O)C2=CC(=CN2)C(=O)CC(C)C)OC(=O)CC(C)C

Isomeric SMILES

CCOC(=O)CCC1=C(C=CC(=C1)C(=O)C2=CC(=CN2)C(=O)CC(C)C)OC(=O)CC(C)C

InChI

InChI=1S/C26H33NO6/c1-6-32-24(29)10-8-18-13-19(7-9-23(18)33-25(30)12-17(4)5)26(31)21-14-20(15-27-21)22(28)11-16(2)3/h7,9,13-17,27H,6,8,10-12H2,1-5H3