(1S,2R)-4,6,6-trimethyl-2-[1-(phenylcarbonyl)indol-3-yl]cyclohex-3-ene-1-carbaldehyde

Systemtic Name: (1S,2R)-4,6,6-trimethyl-2-[1-(phenylcarbonyl)indol-3-yl]cyclohex-3-ene-1-carbaldehyde Openeye Name: (1S,2R)-2-(1-benzoylindol-3-yl)-4,6,6-trimethyl-cyclohex-3-ene-1-carbaldehyde CAS Name: (1S,2R)-2-(1-benzoyl-3-indolyl)-4,6,6-trimethyl-1-cyclohex-3-enecarboxaldehyde IUPAC Name: (1S,2R)-2-(1-benzoylindol-3-yl)-4,6,6-trimethylcyclohex-3-ene-1-carbaldehyde Traditional Name: (1S,2R)-2-(1-benzoylindol-3-yl)-4,6,6-trimethyl-cyclohex-3-ene-1-carbaldehyde Formula: C25H25NO2 MolecularWeight: 371.4715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(C(C1)(C)C)C=O)C2=CN(C3=CC=CC=C32)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C[C@H]([C@@H](C(C1)(C)C)C=O)C2=CN(C3=CC=CC=C32)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H25NO2/c1-17-13-20(22(16-27)25(2,3)14-17)21-15-26(23-12-8-7-11-19(21)23)24(28)18-9-5-4-6-10-18/h4-13,15-16,20,22H,14H2,1-3H3/t20-,22-/m0/s1