(E)-1-(1H-indol-3-yl)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one

Systemtic Name: (E)-1-(1H-indol-3-yl)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one Openeye Name: (E)-1-(1H-indol-3-yl)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one CAS Name: (E)-1-(1H-indol-3-yl)-4-(2,6,6-trimethyl-1-cyclohexenyl)-3-buten-2-one IUPAC Name: (E)-1-(1H-indol-3-yl)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one Traditional Name: (E)-1-(1H-indol-3-yl)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one Formula: C21H25NO MolecularWeight: 307.4293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC(=O)CC2=CNC3=CC=CC=C32

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=O)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H25NO/c1-15-7-6-12-21(2,3)19(15)11-10-17(23)13-16-14-22-20-9-5-4-8-18(16)20/h4-5,8-11,14,22H,6-7,12-13H2,1-3H3/b11-10+