(2S)-2-(4-methoxyphenyl)-1-(3-methylphenyl)-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate

Systemtic Name: (2S)-2-(4-methoxyphenyl)-1-(3-methylphenyl)-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate Openeye Name: (2S)-2-(4-methoxyphenyl)-1-(m-tolyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate CAS Name: (2S)-2-(4-methoxyphenyl)-1-(3-methylphenyl)-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-4-olate IUPAC Name: (2S)-2-(4-methoxyphenyl)-1-(3-methylphenyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate Traditional Name: (5S)-2-keto-5-(4-methoxyphenyl)-1-(m-tolyl)-4-[(E)-3-phenylacryloyl]-3-pyrrolin-3-olate Formula: C27H22NO4- MolecularWeight: 424.46788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(C(=C(C2=O)[O-])C(=O)C=CC3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2[C@H](C(=C(C2=O)[O-])C(=O)/C=C/C3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H23NO4/c1-18-7-6-10-21(17-18)28-25(20-12-14-22(32-2)15-13-20)24(26(30)27(28)31)23(29)16-11-19-8-4-3-5-9-19/h3-17,25,30H,1-2H3/p-1/b16-11+/t25-/m0/s1