4-[2-[4-carboxy-2,3-bis(phenylmethyl)phenyl]ethyl]-2,3-bis(phenylmethyl)benzoic acid

Systemtic Name: 4-[2-[4-carboxy-2,3-bis(phenylmethyl)phenyl]ethyl]-2,3-bis(phenylmethyl)benzoic acid Openeye Name: 2,3-dibenzyl-4-[2-(2,3-dibenzyl-4-carboxy-phenyl)ethyl]benzoic acid CAS Name: 4-[2-[4-carboxy-2,3-bis(phenylmethyl)phenyl]ethyl]-2,3-bis(phenylmethyl)benzoic acid IUPAC Name: 2,3-dibenzyl-4-[2-(2,3-dibenzyl-4-carboxyphenyl)ethyl]benzoic acid Traditional Name: 2,3-dibenzyl-4-[2-(2,3-dibenzyl-4-carboxy-phenyl)ethyl]benzoic acid Formula: C44H38O4 MolecularWeight: 630.77012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC(=C2CC3=CC=CC=C3)C(=O)O)CCC4=C(C(=C(C=C4)C(=O)O)CC5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2CC3=CC=CC=C3)C(=O)O)CCC4=C(C(=C(C=C4)C(=O)O)CC5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C44H38O4/c45-43(46)37-25-23-35(39(27-31-13-5-1-6-14-31)41(37)29-33-17-9-3-10-18-33)21-22-36-24-26-38(44(47)48)42(30-34-19-11-4-12-20-34)40(36)28-32-15-7-2-8-16-32/h1-20,23-26H,21-22,27-30H2,(H,45,46)(H,47,48)