4-[(3-chloranyl-4-phenoxy-phenyl)methyl-(phenylmethyl)carbamoyl]cyclobutane-1,2,3-tricarboxylic acid

Systemtic Name: 4-[(3-chloranyl-4-phenoxy-phenyl)methyl-(phenylmethyl)carbamoyl]cyclobutane-1,2,3-tricarboxylic acid Openeye Name: 4-[benzyl-[(3-chloro-4-phenoxy-phenyl)methyl]carbamoyl]cyclobutane-1,2,3-tricarboxylic acid CAS Name: 4-[[(3-chloro-4-phenoxyphenyl)methyl-(phenylmethyl)amino]-oxomethyl]cyclobutane-1,2,3-tricarboxylic acid IUPAC Name: 4-[benzyl-[(3-chloro-4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2,3-tricarboxylic acid Traditional Name: 4-[benzyl-(3-chloro-4-phenoxy-benzyl)carbamoyl]cyclobutane-1,2,3-tricarboxylic acid Formula: C28H24ClNO8 MolecularWeight: 537.94506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24ClNO8/c29-19-13-17(11-12-20(19)38-18-9-5-2-6-10-18)15-30(14-16-7-3-1-4-8-16)25(31)21-22(26(32)33)24(28(36)37)23(21)27(34)35/h1-13,21-24H,14-15H2,(H,32,33)(H,34,35)(H,36,37)