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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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