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

Systemtic Name: 3,4-bis[methyl-[1-(4-phenoxyphenyl)butyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid Openeye Name: 3,4-bis[methyl-[1-(4-phenoxyphenyl)butyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid CAS Name: 3,4-bis[[methyl-[1-(4-phenoxyphenyl)butyl]amino]-oxomethyl]cyclobutane-1,2-dicarboxylic acid IUPAC Name: 3,4-bis[methyl-[1-(4-phenoxyphenyl)butyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid Traditional Name: 3,4-bis[methyl-[1-(4-phenoxyphenyl)butyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid Formula: C42H46N2O8 MolecularWeight: 706.82324

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)OC2=CC=CC=C2)N(C)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)N(C)C(CCC)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CCCC(C1=CC=C(C=C1)OC2=CC=CC=C2)N(C)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)N(C)C(CCC)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C42H46N2O8/c1-5-13-33(27-19-23-31(24-20-27)51-29-15-9-7-10-16-29)43(3)39(45)35-36(38(42(49)50)37(35)41(47)48)40(46)44(4)34(14-6-2)28-21-25-32(26-22-28)52-30-17-11-8-12-18-30/h7-12,15-26,33-38H,5-6,13-14H2,1-4H3,(H,47,48)(H,49,50)