5-[carboxymethyl-[3-(4-phenoxyphenyl)-5-phenyl-pentan-2-yl]carbamoyl]oxolane-2,3,4-tricarboxylic acid

Systemtic Name: 5-[carboxymethyl-[3-(4-phenoxyphenyl)-5-phenyl-pentan-2-yl]carbamoyl]oxolane-2,3,4-tricarboxylic acid Openeye Name: 5-[carboxymethyl-[1-methyl-2-(4-phenoxyphenyl)-4-phenyl-butyl]carbamoyl]tetrahydrofuran-2,3,4-tricarboxylic acid CAS Name: 5-[[carboxymethyl-[3-(4-phenoxyphenyl)-5-phenylpentan-2-yl]amino]-oxomethyl]oxolane-2,3,4-tricarboxylic acid IUPAC Name: 5-[carboxymethyl-[3-(4-phenoxyphenyl)-5-phenylpentan-2-yl]carbamoyl]oxolane-2,3,4-tricarboxylic acid Traditional Name: 5-[carboxymethyl-[1-methyl-2-(4-phenoxyphenyl)-4-phenyl-butyl]carbamoyl]tetrahydrofuran-2,3,4-tricarboxylic acid Formula: C33H33NO11 MolecularWeight: 619.61522

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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(C(C(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(C(C(O4)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C33H33NO11/c1-19(34(18-25(35)36)30(37)28-26(31(38)39)27(32(40)41)29(45-28)33(42)43)24(17-12-20-8-4-2-5-9-20)21-13-15-23(16-14-21)44-22-10-6-3-7-11-22/h2-11,13-16,19,24,26-29H,12,17-18H2,1H3,(H,35,36)(H,38,39)(H,40,41)(H,42,43)