[2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(phenylcarbonyl)benzoate

Systemtic Name: [2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(phenylcarbonyl)benzoate Openeye Name: [2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2-benzoylbenzoate CAS Name: 2-benzoylbenzoic acid [2-[1-(3-methoxypropyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-benzoylbenzoate Traditional Name: 2-benzoylbenzoic acid [2-keto-2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C26H27NO5 MolecularWeight: 433.49628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCOC)C)C(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CCCOC)C)C(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H27NO5/c1-18-16-23(19(2)27(18)14-9-15-31-3)24(28)17-32-26(30)22-13-8-7-12-21(22)25(29)20-10-5-4-6-11-20/h4-8,10-13,16H,9,14-15,17H2,1-3H3