(5R,6S)-2-methyl-6-(phenylmethyl)-5-prop-1-en-2-yl-6-(1H-pyrrol-2-yl)cyclohex-2-en-1-one

Systemtic Name: (5R,6S)-2-methyl-6-(phenylmethyl)-5-prop-1-en-2-yl-6-(1H-pyrrol-2-yl)cyclohex-2-en-1-one Openeye Name: (5R,6S)-6-benzyl-5-isopropenyl-2-methyl-6-(1H-pyrrol-2-yl)cyclohex-2-en-1-one CAS Name: (5R,6S)-2-methyl-5-(1-methylethenyl)-6-(phenylmethyl)-6-(1H-pyrrol-2-yl)-1-cyclohex-2-enone IUPAC Name: (5R,6S)-6-benzyl-2-methyl-5-prop-1-en-2-yl-6-(1H-pyrrol-2-yl)cyclohex-2-en-1-one Traditional Name: (5R,6S)-6-benzyl-5-isopropenyl-2-methyl-6-(1H-pyrrol-2-yl)cyclohex-2-en-1-one Formula: C21H23NO MolecularWeight: 305.41342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(C1=O)(CC2=CC=CC=C2)C3=CC=CN3)C(=C)C

Isomeric SMILES

CC1=CC[C@@H]([C@@](C1=O)(CC2=CC=CC=C2)C3=CC=CN3)C(=C)C

InChI

InChI=1S/C21H23NO/c1-15(2)18-12-11-16(3)20(23)21(18,19-10-7-13-22-19)14-17-8-5-4-6-9-17/h4-11,13,18,22H,1,12,14H2,2-3H3/t18-,21+/m1/s1