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

Systemtic Name: methyl 4-[1-(3-methoxypropyl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[4-hydroxy-1-(3-methoxypropyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-2-yl]benzoate CAS Name: 4-[4-hydroxy-1-(3-methoxypropyl)-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-hydroxy-1-(3-methoxypropyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[4-hydroxy-5-keto-1-(3-methoxypropyl)-3-[(E)-3-phenylacryloyl]-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C25H25NO6 MolecularWeight: 435.4691

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(C(=C(C1=O)O)C(=O)C=CC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COCCCN1C(C(=C(C1=O)O)C(=O)/C=C/C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H25NO6/c1-31-16-6-15-26-22(18-10-12-19(13-11-18)25(30)32-2)21(23(28)24(26)29)20(27)14-9-17-7-4-3-5-8-17/h3-5,7-14,22,28H,6,15-16H2,1-2H3/b14-9+