5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-[3-(4-phenoxyphenyl)-5-phenyl-pentan-2-yl]carbamoyl]-1,3-dioxolane-2,2,4-tricarboxylic acid

Systemtic Name: 5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-[3-(4-phenoxyphenyl)-5-phenyl-pentan-2-yl]carbamoyl]-1,3-dioxolane-2,2,4-tricarboxylic acid Openeye Name: 5-[(2-tert-butoxy-2-oxo-ethyl)-[1-methyl-2-(4-phenoxyphenyl)-4-phenyl-butyl]carbamoyl]-1,3-dioxolane-2,2,4-tricarboxylic acid CAS Name: 5-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[3-(4-phenoxyphenyl)-5-phenylpentan-2-yl]amino]-oxomethyl]-1,3-dioxolane-2,2,4-tricarboxylic acid IUPAC Name: 5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[3-(4-phenoxyphenyl)-5-phenylpentan-2-yl]carbamoyl]-1,3-dioxolane-2,2,4-tricarboxylic acid Traditional Name: 5-[(2-tert-butoxy-2-keto-ethyl)-[1-methyl-2-(4-phenoxyphenyl)-4-phenyl-butyl]carbamoyl]-1,3-dioxolane-2,2,4-tricarboxylic acid Formula: C36H39NO12 MolecularWeight: 677.69436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCC1=CC=CC=C1)C2=CC=C(C=C2)OC3=CC=CC=C3)N(CC(=O)OC(C)(C)C)C(=O)C4C(OC(O4)(C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC(C(CCC1=CC=CC=C1)C2=CC=C(C=C2)OC3=CC=CC=C3)N(CC(=O)OC(C)(C)C)C(=O)C4C(OC(O4)(C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C36H39NO12/c1-22(27(20-15-23-11-7-5-8-12-23)24-16-18-26(19-17-24)46-25-13-9-6-10-14-25)37(21-28(38)47-35(2,3)4)31(39)29-30(32(40)41)49-36(48-29,33(42)43)34(44)45/h5-14,16-19,22,27,29-30H,15,20-21H2,1-4H3,(H,40,41)(H,42,43)(H,44,45)