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

Systemtic Name: [2-[1-(diphenylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-oxidanylidenepentanoate Openeye Name: [2-(1-benzhydryl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [2-[1-(diphenylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-(1-benzhydryl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [2-(1-benzhydryl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C2=CC=CC=C2)C3=CC=CC=C3)C)C(=O)COC(=O)CCC(=O)C

Isomeric SMILES

CC1=CC(=C(N1C(C2=CC=CC=C2)C3=CC=CC=C3)C)C(=O)COC(=O)CCC(=O)C

InChI

InChI=1S/C26H27NO4/c1-18-16-23(24(29)17-31-25(30)15-14-19(2)28)20(3)27(18)26(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,16,26H,14-15,17H2,1-3H3