[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-acetamidobenzoate

Systemtic Name: [2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-acetamidobenzoate Openeye Name: [2-[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-3-yl]-2-oxo-ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [2-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-[2,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)C3=CC(=CC=C3)NC(=O)C

InChI

InChI=1S/C22H26N2O5/c1-14-10-20(15(2)24(14)12-19-8-5-9-28-19)21(26)13-29-22(27)17-6-4-7-18(11-17)23-16(3)25/h4,6-7,10-11,19H,5,8-9,12-13H2,1-3H3,(H,23,25)