4-[(2S)-2-(3-methoxyphenyl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]butanoate

Systemtic Name: 4-[(2S)-2-(3-methoxyphenyl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]butanoate Openeye Name: 4-[(2S)-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]butanoate CAS Name: 4-[(2S)-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-1-yl]butanoate IUPAC Name: 4-[(2S)-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]butanoate Traditional Name: 4-[(5S)-3-hydroxy-2-keto-5-(3-methoxyphenyl)-4-[(E)-3-phenylacryloyl]-3-pyrrolin-1-yl]butyrate Formula: C24H22NO6- MolecularWeight: 420.43458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(=C(C(=O)N2CCCC(=O)[O-])O)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)[C@H]2C(=C(C(=O)N2CCCC(=O)[O-])O)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C24H23NO6/c1-31-18-10-5-9-17(15-18)22-21(19(26)13-12-16-7-3-2-4-8-16)23(29)24(30)25(22)14-6-11-20(27)28/h2-5,7-10,12-13,15,22,29H,6,11,14H2,1H3,(H,27,28)/p-1/b13-12+/t22-/m0/s1