methyl 4-[1-(2-dimethylaminoethyl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[1-(2-dimethylaminoethyl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[1-(2-dimethylaminoethyl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-2-yl]benzoate CAS Name: 4-[1-(2-dimethylaminoethyl)-4-hydroxy-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(2-dimethylaminoethyl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[1-(2-dimethylaminoethyl)-4-hydroxy-5-keto-3-[(E)-3-phenylacryloyl]-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C(C(=C(C1=O)O)C(=O)C=CC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN(C)CCN1C(C(=C(C1=O)O)C(=O)/C=C/C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H26N2O5/c1-26(2)15-16-27-22(18-10-12-19(13-11-18)25(31)32-3)21(23(29)24(27)30)20(28)14-9-17-7-5-4-6-8-17/h4-14,22,29H,15-16H2,1-3H3/b14-9+