2-[[2-cyclohexyl-2-[3-(3-phenylphenyl)phenyl]ethyl]-phenethyl-amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[2-cyclohexyl-2-[3-(3-phenylphenyl)phenyl]ethyl]-phenethyl-amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[2-cyclohexyl-2-[3-(3-phenylphenyl)phenyl]ethyl]-phenethyl-amino]-2-oxo-acetic acid CAS Name: 2-[[2-cyclohexyl-2-[3-(3-phenylphenyl)phenyl]ethyl]-phenethylamino]-2-oxoacetic acid IUPAC Name: 2-[[2-cyclohexyl-2-[3-(3-phenylphenyl)phenyl]ethyl]-phenethylamino]-2-oxoacetic acid Traditional Name: 2-[[2-cyclohexyl-2-[3-(3-phenylphenyl)phenyl]ethyl]-phenethyl-amino]-2-keto-acetic acid Formula: C36H37NO3 MolecularWeight: 531.68388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CN(CCC2=CC=CC=C2)C(=O)C(=O)O)C3=CC=CC(=C3)C4=CC=CC(=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C(CN(CCC2=CC=CC=C2)C(=O)C(=O)O)C3=CC=CC(=C3)C4=CC=CC(=C4)C5=CC=CC=C5

InChI

InChI=1S/C36H37NO3/c38-35(36(39)40)37(23-22-27-12-4-1-5-13-27)26-34(29-16-8-3-9-17-29)33-21-11-20-32(25-33)31-19-10-18-30(24-31)28-14-6-2-7-15-28/h1-2,4-7,10-15,18-21,24-25,29,34H,3,8-9,16-17,22-23,26H2,(H,39,40)