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

Systemtic Name: 3,4-bis[pentyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid Openeye Name: 3,4-bis[pentyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid CAS Name: 3,4-bis[oxo-[pentyl-[(4-phenoxyphenyl)methyl]amino]methyl]cyclobutane-1,2-dicarboxylic acid IUPAC Name: 3,4-bis[pentyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid Traditional Name: 3,4-bis[amyl-(4-phenoxybenzyl)carbamoyl]cyclobutane-1,2-dicarboxylic acid Formula: C44H50N2O8 MolecularWeight: 734.8764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)N(CCCCC)CC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CCCCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)N(CCCCC)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C44H50N2O8/c1-3-5-13-27-45(29-31-19-23-35(24-20-31)53-33-15-9-7-10-16-33)41(47)37-38(40(44(51)52)39(37)43(49)50)42(48)46(28-14-6-4-2)30-32-21-25-36(26-22-32)54-34-17-11-8-12-18-34/h7-12,15-26,37-40H,3-6,13-14,27-30H2,1-2H3,(H,49,50)(H,51,52)