(2S)-1-[(4-methoxyphenyl)methyl]-5-oxidanyl-3-oxidanylidene-2-(phenylmethyl)-2H-pyrrole-4-carbonitrile

Systemtic Name: (2S)-1-[(4-methoxyphenyl)methyl]-5-oxidanyl-3-oxidanylidene-2-(phenylmethyl)-2H-pyrrole-4-carbonitrile Openeye Name: (2S)-2-benzyl-5-hydroxy-1-[(4-methoxyphenyl)methyl]-3-oxo-2H-pyrrole-4-carbonitrile CAS Name: (2S)-5-hydroxy-1-[(4-methoxyphenyl)methyl]-3-oxo-2-(phenylmethyl)-2H-pyrrole-4-carbonitrile IUPAC Name: (2S)-2-benzyl-5-hydroxy-1-[(4-methoxyphenyl)methyl]-3-oxo-2H-pyrrole-4-carbonitrile Traditional Name: (5S)-5-benzyl-2-hydroxy-4-keto-1-p-anisyl-2-pyrroline-3-carbonitrile Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(C(=O)C(=C2O)C#N)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CN2[C@H](C(=O)C(=C2O)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3/c1-25-16-9-7-15(8-10-16)13-22-18(11-14-5-3-2-4-6-14)19(23)17(12-21)20(22)24/h2-10,18,24H,11,13H2,1H3/t18-/m0/s1