2-[[2-cyclohexyl-2-(4-dibenzofuran-4-ylphenyl)ethyl]-(phenylmethyl)amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[2-cyclohexyl-2-(4-dibenzofuran-4-ylphenyl)ethyl]-(phenylmethyl)amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[benzyl-[2-cyclohexyl-2-(4-dibenzofuran-4-ylphenyl)ethyl]amino]-2-oxo-acetic acid CAS Name: 2-[[2-cyclohexyl-2-[4-(4-dibenzofuranyl)phenyl]ethyl]-(phenylmethyl)amino]-2-oxoacetic acid IUPAC Name: 2-[benzyl-[2-cyclohexyl-2-(4-dibenzofuran-4-ylphenyl)ethyl]amino]-2-oxoacetic acid Traditional Name: 2-[benzyl-[2-cyclohexyl-2-(4-dibenzofuran-4-ylphenyl)ethyl]amino]-2-keto-acetic acid Formula: C35H33NO4 MolecularWeight: 531.64082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CN(CC2=CC=CC=C2)C(=O)C(=O)O)C3=CC=C(C=C3)C4=CC=CC5=C4OC6=CC=CC=C56

Isomeric SMILES

C1CCC(CC1)C(CN(CC2=CC=CC=C2)C(=O)C(=O)O)C3=CC=C(C=C3)C4=CC=CC5=C4OC6=CC=CC=C56

InChI

InChI=1S/C35H33NO4/c37-34(35(38)39)36(22-24-10-3-1-4-11-24)23-31(25-12-5-2-6-13-25)27-20-18-26(19-21-27)28-15-9-16-30-29-14-7-8-17-32(29)40-33(28)30/h1,3-4,7-11,14-21,25,31H,2,5-6,12-13,22-23H2,(H,38,39)