(2S)-1-[(E)-4-(4-methylphenyl)-4-oxidanylidene-but-2-en-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(E)-4-(4-methylphenyl)-4-oxidanylidene-but-2-en-2-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(E)-1-methyl-3-oxo-3-(p-tolyl)prop-1-enyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(E)-4-(4-methylphenyl)-4-oxobut-2-en-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(E)-4-(4-methylphenyl)-4-oxobut-2-en-2-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(E)-3-keto-1-methyl-3-(p-tolyl)prop-1-enyl]pyrrolidine-2-carboxamide Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C=C(C)N2CCCC2C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C=C(\C)/N2CCC[C@H]2C(=O)N

InChI

InChI=1S/C16H20N2O2/c1-11-5-7-13(8-6-11)15(19)10-12(2)18-9-3-4-14(18)16(17)20/h5-8,10,14H,3-4,9H2,1-2H3,(H2,17,20)/b12-10+/t14-/m0/s1