5-[carboxymethyl-[3-(4-phenoxyphenyl)-5-phenyl-pentan-2-yl]carbamoyl]-1,3-dioxolane-2,2,4-tricarboxylate

Systemtic Name: 5-[carboxymethyl-[3-(4-phenoxyphenyl)-5-phenyl-pentan-2-yl]carbamoyl]-1,3-dioxolane-2,2,4-tricarboxylate Openeye Name: 5-[carboxymethyl-[1-methyl-2-(4-phenoxyphenyl)-4-phenyl-butyl]carbamoyl]-1,3-dioxolane-2,2,4-tricarboxylate CAS Name: 5-[[carboxymethyl-[3-(4-phenoxyphenyl)-5-phenylpentan-2-yl]amino]-oxomethyl]-1,3-dioxolane-2,2,4-tricarboxylate IUPAC Name: 5-[carboxymethyl-[3-(4-phenoxyphenyl)-5-phenylpentan-2-yl]carbamoyl]-1,3-dioxolane-2,2,4-tricarboxylate Traditional Name: 5-[carboxymethyl-[1-methyl-2-(4-phenoxyphenyl)-4-phenyl-butyl]carbamoyl]-1,3-dioxolane-2,2,4-tricarboxylate Formula: C32H28NO12-3 MolecularWeight: 618.56422

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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)O)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)O)C(=O)C4C(OC(O4)(C(=O)[O-])C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C32H31NO12/c1-19(33(18-25(34)35)28(36)26-27(29(37)38)45-32(44-26,30(39)40)31(41)42)24(17-12-20-8-4-2-5-9-20)21-13-15-23(16-14-21)43-22-10-6-3-7-11-22/h2-11,13-16,19,24,26-27H,12,17-18H2,1H3,(H,34,35)(H,37,38)(H,39,40)(H,41,42)/p-3