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

Systemtic Name: [2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic 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] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-keto-2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCOC)C)C(=O)COC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=CC(=C(N1CCCOC)C)C(=O)COC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C20H22N2O4/c1-14-10-18(15(2)22(14)8-5-9-25-3)19(23)13-26-20(24)17-7-4-6-16(11-17)12-21/h4,6-7,10-11H,5,8-9,13H2,1-3H3