[1-oxidanylidene-1-(4-phenylmethoxyphenyl)propan-2-yl] 3-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: [1-oxidanylidene-1-(4-phenylmethoxyphenyl)propan-2-yl] 3-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [2-(4-benzyloxyphenyl)-1-methyl-2-oxo-ethyl] 3-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 3-(2,5-dimethyl-1-pyrrolyl)benzoic acid [1-oxo-1-(4-phenylmethoxyphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylmethoxyphenyl)propan-2-yl] 3-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 3-(2,5-dimethylpyrrol-1-yl)benzoic acid [2-(4-benzoxyphenyl)-2-keto-1-methyl-ethyl] ester Formula: C29H27NO4 MolecularWeight: 453.52898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)OC(C)C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)OC(C)C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C29H27NO4/c1-20-12-13-21(2)30(20)26-11-7-10-25(18-26)29(32)34-22(3)28(31)24-14-16-27(17-15-24)33-19-23-8-5-4-6-9-23/h4-18,22H,19H2,1-3H3