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

Systemtic Name: 2,4-bis[cyclobutyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Openeye Name: 2,4-bis[cyclobutyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid CAS Name: 2,4-bis[[cyclobutyl-[(4-phenoxyphenyl)methyl]amino]-oxomethyl]cyclobutane-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[cyclobutyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Traditional Name: 2,4-bis[cyclobutyl-(4-phenoxybenzyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid Formula: C42H42N2O8 MolecularWeight: 702.79148

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)O)C(=O)N(CC5=CC=C(C=C5)OC6=CC=CC=C6)C7CCC7)C(=O)O

Isomeric SMILES

C1CC(C1)N(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)O)C(=O)N(CC5=CC=C(C=C5)OC6=CC=CC=C6)C7CCC7)C(=O)O

InChI

InChI=1S/C42H42N2O8/c45-39(43(29-9-7-10-29)25-27-17-21-33(22-18-27)51-31-13-3-1-4-14-31)35-37(41(47)48)36(38(35)42(49)50)40(46)44(30-11-8-12-30)26-28-19-23-34(24-20-28)52-32-15-5-2-6-16-32/h1-6,13-24,29-30,35-38H,7-12,25-26H2,(H,47,48)(H,49,50)