5-[(3-phenoxyphenyl)methyl-(phenylmethyl)carbamoyl]benzene-1,2,4-tricarboxylic acid

Systemtic Name: 5-[(3-phenoxyphenyl)methyl-(phenylmethyl)carbamoyl]benzene-1,2,4-tricarboxylic acid Openeye Name: 5-[benzyl-[(3-phenoxyphenyl)methyl]carbamoyl]benzene-1,2,4-tricarboxylic acid CAS Name: 5-[oxo-[(3-phenoxyphenyl)methyl-(phenylmethyl)amino]methyl]benzene-1,2,4-tricarboxylic acid IUPAC Name: 5-[benzyl-[(3-phenoxyphenyl)methyl]carbamoyl]benzene-1,2,4-tricarboxylic acid Traditional Name: 5-[benzyl-(3-phenoxybenzyl)carbamoyl]trimellitic acid Formula: C30H23NO8 MolecularWeight: 525.50552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)C4=CC(=C(C=C4C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)C4=CC(=C(C=C4C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C30H23NO8/c32-27(23-15-25(29(35)36)26(30(37)38)16-24(23)28(33)34)31(17-19-8-3-1-4-9-19)18-20-10-7-13-22(14-20)39-21-11-5-2-6-12-21/h1-16H,17-18H2,(H,33,34)(H,35,36)(H,37,38)