[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-phenylmethoxybenzoate

Systemtic Name: [2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-phenylmethoxybenzoate Openeye Name: [2-[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-3-yl]-2-oxo-ethyl] 4-benzyloxybenzoate CAS Name: 4-phenylmethoxybenzoic 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] 4-phenylmethoxybenzoate Traditional Name: 4-benzoxybenzoic acid [2-[2,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H29NO5/c1-19-15-25(20(2)28(19)16-24-9-6-14-31-24)26(29)18-33-27(30)22-10-12-23(13-11-22)32-17-21-7-4-3-5-8-21/h3-5,7-8,10-13,15,24H,6,9,14,16-18H2,1-2H3