[(2R)-1-[4-(2-acetamidoethyl)phenyl]-1-oxidanylidene-propan-2-yl] 3-pyrrol-1-ylbenzoate

Systemtic Name: [(2R)-1-[4-(2-acetamidoethyl)phenyl]-1-oxidanylidene-propan-2-yl] 3-pyrrol-1-ylbenzoate Openeye Name: [(1R)-2-[4-(2-acetamidoethyl)phenyl]-1-methyl-2-oxo-ethyl] 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic acid [(2R)-1-[4-(2-acetamidoethyl)phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-(2-acetamidoethyl)phenyl]-1-oxopropan-2-yl] 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid [(1R)-2-[4-(2-acetamidoethyl)phenyl]-2-keto-1-methyl-ethyl] ester Formula: C24H24N2O4 MolecularWeight: 404.45836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)CCNC(=O)C)OC(=O)C2=CC(=CC=C2)N3C=CC=C3

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)CCNC(=O)C)OC(=O)C2=CC(=CC=C2)N3C=CC=C3

InChI

InChI=1S/C24H24N2O4/c1-17(23(28)20-10-8-19(9-11-20)12-13-25-18(2)27)30-24(29)21-6-5-7-22(16-21)26-14-3-4-15-26/h3-11,14-17H,12-13H2,1-2H3,(H,25,27)/t17-/m1/s1