diethyl 2-[[5-(3-oxidanylidene-3-phenyl-propyl)-1H-pyrrol-2-yl]-phenyl-methyl]propanedioate

Systemtic Name: diethyl 2-[[5-(3-oxidanylidene-3-phenyl-propyl)-1H-pyrrol-2-yl]-phenyl-methyl]propanedioate Openeye Name: diethyl 2-[[5-(3-oxo-3-phenyl-propyl)-1H-pyrrol-2-yl]-phenyl-methyl]propanedioate CAS Name: 2-[[5-(3-oxo-3-phenylpropyl)-1H-pyrrol-2-yl]-phenylmethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[5-(3-oxo-3-phenylpropyl)-1H-pyrrol-2-yl]-phenylmethyl]propanedioate Traditional Name: 2-[[5-(3-keto-3-phenyl-propyl)-1H-pyrrol-2-yl]-phenyl-methyl]malonic acid diethyl ester Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=CC=C1)C2=CC=C(N2)CCC(=O)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(C1=CC=CC=C1)C2=CC=C(N2)CCC(=O)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C27H29NO5/c1-3-32-26(30)25(27(31)33-4-2)24(20-13-9-6-10-14-20)22-17-15-21(28-22)16-18-23(29)19-11-7-5-8-12-19/h5-15,17,24-25,28H,3-4,16,18H2,1-2H3