2-[1-[(4-chlorophenyl)methyl]-2,5-diphenyl-pyrrol-3-yl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[1-[(4-chlorophenyl)methyl]-2,5-diphenyl-pyrrol-3-yl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 2-[1-[(4-chlorophenyl)methyl]-2,5-diphenyl-pyrrol-3-yl]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 2-[1-[(4-chlorophenyl)methyl]-2,5-diphenyl-3-pyrrolyl]-3-hydroxy-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 2-[1-[(4-chlorophenyl)methyl]-2,5-diphenylpyrrol-3-yl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 2-[1-(4-chlorobenzyl)-2,5-diphenyl-pyrrol-3-yl]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one Formula: C31H28ClNO2 MolecularWeight: 482.01252

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C2=C(N(C(=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)Cl)C5=CC=CC=C5)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C2=C(N(C(=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)Cl)C5=CC=CC=C5)O)C

InChI

InChI=1S/C31H28ClNO2/c1-31(2)18-27(34)29(28(35)19-31)25-17-26(22-9-5-3-6-10-22)33(20-21-13-15-24(32)16-14-21)30(25)23-11-7-4-8-12-23/h3-17,34H,18-20H2,1-2H3