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

Systemtic Name: 3,4-bis[cyclohexyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid Openeye Name: 3,4-bis[cyclohexyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid CAS Name: 3,4-bis[[cyclohexyl-[(4-phenoxyphenyl)methyl]amino]-oxomethyl]cyclobutane-1,2-dicarboxylic acid IUPAC Name: 3,4-bis[cyclohexyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid Traditional Name: 3,4-bis[cyclohexyl-(4-phenoxybenzyl)carbamoyl]cyclobutane-1,2-dicarboxylic acid Formula: C46H50N2O8 MolecularWeight: 758.8978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)O)C(=O)O)C(=O)N(CC5=CC=C(C=C5)OC6=CC=CC=C6)C7CCCCC7

Isomeric SMILES

C1CCC(CC1)N(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)O)C(=O)O)C(=O)N(CC5=CC=C(C=C5)OC6=CC=CC=C6)C7CCCCC7

InChI

InChI=1S/C46H50N2O8/c49-43(47(33-13-5-1-6-14-33)29-31-21-25-37(26-22-31)55-35-17-9-3-10-18-35)39-40(42(46(53)54)41(39)45(51)52)44(50)48(34-15-7-2-8-16-34)30-32-23-27-38(28-24-32)56-36-19-11-4-12-20-36/h3-4,9-12,17-28,33-34,39-42H,1-2,5-8,13-16,29-30H2,(H,51,52)(H,53,54)