[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-methanoylbenzoate

Systemtic Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-methanoylbenzoate Openeye Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl] 4-formylbenzoate CAS Name: 4-formylbenzoic acid [2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl] 4-formylbenzoate Traditional Name: 4-formylbenzoic acid [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H19NO4 MolecularWeight: 361.39056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)C3=CC=C(C=C3)C=O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)C3=CC=C(C=C3)C=O

InChI

InChI=1S/C22H19NO4/c1-15-12-20(16(2)23(15)19-6-4-3-5-7-19)21(25)14-27-22(26)18-10-8-17(13-24)9-11-18/h3-13H,14H2,1-2H3