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

Systemtic Name: (2S)-1-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)-5-oxidanyl-3-oxidanylidene-2H-pyrrole-4-carbonitrile Openeye Name: (2S)-5-hydroxy-2-isobutyl-1-[(3-methoxyphenyl)methyl]-3-oxo-2H-pyrrole-4-carbonitrile CAS Name: (2S)-5-hydroxy-1-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)-3-oxo-2H-pyrrole-4-carbonitrile IUPAC Name: (2S)-5-hydroxy-1-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)-3-oxo-2H-pyrrole-4-carbonitrile Traditional Name: (5S)-2-hydroxy-5-isobutyl-4-keto-1-m-anisyl-2-pyrroline-3-carbonitrile Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)C(=C(N1CC2=CC(=CC=C2)OC)O)C#N

Isomeric SMILES

CC(C)C[C@H]1C(=O)C(=C(N1CC2=CC(=CC=C2)OC)O)C#N

InChI

InChI=1S/C17H20N2O3/c1-11(2)7-15-16(20)14(9-18)17(21)19(15)10-12-5-4-6-13(8-12)22-3/h4-6,8,11,15,21H,7,10H2,1-3H3/t15-/m0/s1