dimethyl 2-[[2,2,5,5-tetraphenyl-3-(phenylmethyl)cyclopent-3-en-1-yl]methylidene]propanedioate

Systemtic Name: dimethyl 2-[[2,2,5,5-tetraphenyl-3-(phenylmethyl)cyclopent-3-en-1-yl]methylidene]propanedioate Openeye Name: dimethyl 2-[(3-benzyl-2,2,5,5-tetraphenyl-cyclopent-3-en-1-yl)methylene]propanedioate CAS Name: 2-[[2,2,5,5-tetraphenyl-3-(phenylmethyl)-1-cyclopent-3-enyl]methylidene]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(3-benzyl-2,2,5,5-tetraphenylcyclopent-3-en-1-yl)methylidene]propanedioate Traditional Name: 2-[(3-benzyl-2,2,5,5-tetraphenyl-cyclopent-3-en-1-yl)methylene]malonic acid dimethyl ester Formula: C42H36O4 MolecularWeight: 604.73284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1C(C=C(C1(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)OC

Isomeric SMILES

COC(=O)C(=CC1C(C=C(C1(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)OC

InChI

InChI=1S/C42H36O4/c1-45-39(43)37(40(44)46-2)29-38-41(32-20-10-4-11-21-32,33-22-12-5-13-23-33)30-36(28-31-18-8-3-9-19-31)42(38,34-24-14-6-15-25-34)35-26-16-7-17-27-35/h3-27,29-30,38H,28H2,1-2H3