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

Systemtic Name: 3,4-bis[(4-phenoxyphenyl)methyl-(thiophen-2-ylmethyl)carbamoyl]cyclobutane-1,2-dicarboxylic acid Openeye Name: 3,4-bis[(4-phenoxyphenyl)methyl-(2-thienylmethyl)carbamoyl]cyclobutane-1,2-dicarboxylic acid CAS Name: 3,4-bis[oxo-[(4-phenoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]cyclobutane-1,2-dicarboxylic acid IUPAC Name: 3,4-bis[(4-phenoxyphenyl)methyl-(thiophen-2-ylmethyl)carbamoyl]cyclobutane-1,2-dicarboxylic acid Traditional Name: 3,4-bis[(4-phenoxybenzyl)-(2-thenyl)carbamoyl]cyclobutane-1,2-dicarboxylic acid Formula: C44H38N2O8S2 MolecularWeight: 786.91112

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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)N(CC5=CC=C(C=C5)OC6=CC=CC=C6)CC7=CC=CS7

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)N(CC5=CC=C(C=C5)OC6=CC=CC=C6)CC7=CC=CS7

InChI

InChI=1S/C44H38N2O8S2/c47-41(45(27-35-13-7-23-55-35)25-29-15-19-33(20-16-29)53-31-9-3-1-4-10-31)37-38(40(44(51)52)39(37)43(49)50)42(48)46(28-36-14-8-24-56-36)26-30-17-21-34(22-18-30)54-32-11-5-2-6-12-32/h1-24,37-40H,25-28H2,(H,49,50)(H,51,52)