4-[(4-phenoxyphenyl)methyl-(thiophen-2-ylmethyl)carbamoyl]cyclobutane-1,2,3-tricarboxylic acid

Systemtic Name: 4-[(4-phenoxyphenyl)methyl-(thiophen-2-ylmethyl)carbamoyl]cyclobutane-1,2,3-tricarboxylic acid Openeye Name: 4-[(4-phenoxyphenyl)methyl-(2-thienylmethyl)carbamoyl]cyclobutane-1,2,3-tricarboxylic acid CAS Name: 4-[oxo-[(4-phenoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]cyclobutane-1,2,3-tricarboxylic acid IUPAC Name: 4-[(4-phenoxyphenyl)methyl-(thiophen-2-ylmethyl)carbamoyl]cyclobutane-1,2,3-tricarboxylic acid Traditional Name: 4-[(4-phenoxybenzyl)-(2-thenyl)carbamoyl]cyclobutane-1,2,3-tricarboxylic acid Formula: C26H23NO8S MolecularWeight: 509.52772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)CN(CC3=CC=CS3)C(=O)C4C(C(C4C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)CN(CC3=CC=CS3)C(=O)C4C(C(C4C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C26H23NO8S/c28-23(19-20(24(29)30)22(26(33)34)21(19)25(31)32)27(14-18-7-4-12-36-18)13-15-8-10-17(11-9-15)35-16-5-2-1-3-6-16/h1-12,19-22H,13-14H2,(H,29,30)(H,31,32)(H,33,34)