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

Systemtic Name: 3,4-bis[(4-phenoxyphenyl)-(1-phenylpropyl)carbamoyl]cyclobutane-1,2-dicarboxylic acid Openeye Name: 3,4-bis[(4-phenoxyphenyl)-(1-phenylpropyl)carbamoyl]cyclobutane-1,2-dicarboxylic acid CAS Name: 3,4-bis[oxo-[4-phenoxy-N-(1-phenylpropyl)anilino]methyl]cyclobutane-1,2-dicarboxylic acid IUPAC Name: 3,4-bis[(4-phenoxyphenyl)-(1-phenylpropyl)carbamoyl]cyclobutane-1,2-dicarboxylic acid Traditional Name: 3,4-bis[(4-phenoxyphenyl)-(1-phenylpropyl)carbamoyl]cyclobutane-1,2-dicarboxylic acid Formula: C50H46N2O8 MolecularWeight: 802.90884

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)N(C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)O)C(=O)O)C(=O)N(C5=CC=C(C=C5)OC6=CC=CC=C6)C(CC)C7=CC=CC=C7

Isomeric SMILES

CCC(C1=CC=CC=C1)N(C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)O)C(=O)O)C(=O)N(C5=CC=C(C=C5)OC6=CC=CC=C6)C(CC)C7=CC=CC=C7

InChI

InChI=1S/C50H46N2O8/c1-3-41(33-17-9-5-10-18-33)51(35-25-29-39(30-26-35)59-37-21-13-7-14-22-37)47(53)43-44(46(50(57)58)45(43)49(55)56)48(54)52(42(4-2)34-19-11-6-12-20-34)36-27-31-40(32-28-36)60-38-23-15-8-16-24-38/h5-32,41-46H,3-4H2,1-2H3,(H,55,56)(H,57,58)