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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(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)CC(C)C

Isomeric SMILES

CC(C)CN(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)CC(C)C

InChI

InChI=1S/C42H46N2O8/c1-27(2)23-43(25-29-15-19-33(20-16-29)51-31-11-7-5-8-12-31)39(45)35-36(38(42(49)50)37(35)41(47)48)40(46)44(24-28(3)4)26-30-17-21-34(22-18-30)52-32-13-9-6-10-14-32/h5-22,27-28,35-38H,23-26H2,1-4H3,(H,47,48)(H,49,50)