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

Systemtic Name: 3-[(4-phenoxyphenyl)methyl-(thiophen-2-ylmethyl)carbamoyl]-2,4-bis(phenylmethoxycarbonyl)cyclobutane-1-carboxylic acid Openeye Name: 2,4-bis(benzyloxycarbonyl)-3-[(4-phenoxyphenyl)methyl-(2-thienylmethyl)carbamoyl]cyclobutanecarboxylic acid CAS Name: 3-[oxo-[(4-phenoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-2,4-bis(phenylmethoxycarbonyl)-1-cyclobutanecarboxylic acid IUPAC Name: 3-[(4-phenoxyphenyl)methyl-(thiophen-2-ylmethyl)carbamoyl]-2,4-bis(phenylmethoxycarbonyl)cyclobutane-1-carboxylic acid Traditional Name: 2,4-dicarbobenzoxy-3-[(4-phenoxybenzyl)-(2-thenyl)carbamoyl]cyclobutanecarboxylic acid Formula: C40H35NO8S MolecularWeight: 689.7728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2C(C(C2C(=O)O)C(=O)OCC3=CC=CC=C3)C(=O)N(CC4=CC=C(C=C4)OC5=CC=CC=C5)CC6=CC=CS6

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2C(C(C2C(=O)O)C(=O)OCC3=CC=CC=C3)C(=O)N(CC4=CC=C(C=C4)OC5=CC=CC=C5)CC6=CC=CS6

InChI

InChI=1S/C40H35NO8S/c42-37(41(24-32-17-10-22-50-32)23-27-18-20-31(21-19-27)49-30-15-8-3-9-16-30)33-35(39(45)47-25-28-11-4-1-5-12-28)34(38(43)44)36(33)40(46)48-26-29-13-6-2-7-14-29/h1-22,33-36H,23-26H2,(H,43,44)