5-[carboxymethyl-[(E)-3-(4-phenoxyphenyl)-6-phenyl-hex-5-en-2-yl]carbamoyl]-1,3-dioxolane-2,2,4-tricarboxylic acid

Systemtic Name: 5-[carboxymethyl-[(E)-3-(4-phenoxyphenyl)-6-phenyl-hex-5-en-2-yl]carbamoyl]-1,3-dioxolane-2,2,4-tricarboxylic acid Openeye Name: 5-[carboxymethyl-[(E)-1-methyl-2-(4-phenoxyphenyl)-5-phenyl-pent-4-enyl]carbamoyl]-1,3-dioxolane-2,2,4-tricarboxylic acid CAS Name: 5-[[carboxymethyl-[(E)-3-(4-phenoxyphenyl)-6-phenylhex-5-en-2-yl]amino]-oxomethyl]-1,3-dioxolane-2,2,4-tricarboxylic acid IUPAC Name: 5-[carboxymethyl-[(E)-3-(4-phenoxyphenyl)-6-phenylhex-5-en-2-yl]carbamoyl]-1,3-dioxolane-2,2,4-tricarboxylic acid Traditional Name: 5-[carboxymethyl-[(E)-1-methyl-2-(4-phenoxyphenyl)-5-phenyl-pent-4-enyl]carbamoyl]-1,3-dioxolane-2,2,4-tricarboxylic acid Formula: C33H31NO12 MolecularWeight: 633.59874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC=CC1=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(C/C=C/C1=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/C33H31NO12/c1-20(34(19-26(35)36)29(37)27-28(30(38)39)46-33(45-27,31(40)41)32(42)43)25(14-8-11-21-9-4-2-5-10-21)22-15-17-24(18-16-22)44-23-12-6-3-7-13-23/h2-13,15-18,20,25,27-28H,14,19H2,1H3,(H,35,36)(H,38,39)(H,40,41)(H,42,43)/b11-8+