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

Systemtic Name: 3,4-bis[furan-2-ylmethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid Openeye Name: 3,4-bis[2-furylmethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid CAS Name: 3,4-bis[[2-furanylmethyl-[(4-phenoxyphenyl)methyl]amino]-oxomethyl]cyclobutane-1,2-dicarboxylic acid IUPAC Name: 3,4-bis[furan-2-ylmethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid Traditional Name: 3,4-bis[2-furfuryl-(4-phenoxybenzyl)carbamoyl]cyclobutane-1,2-dicarboxylic acid Formula: C44H38N2O10 MolecularWeight: 754.77992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)CN(CC3=CC=CO3)C(=O)C4C(C(C4C(=O)O)C(=O)O)C(=O)N(CC5=CC=C(C=C5)OC6=CC=CC=C6)CC7=CC=CO7

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)CN(CC3=CC=CO3)C(=O)C4C(C(C4C(=O)O)C(=O)O)C(=O)N(CC5=CC=C(C=C5)OC6=CC=CC=C6)CC7=CC=CO7

InChI

InChI=1S/C44H38N2O10/c47-41(45(27-35-13-7-23-53-35)25-29-15-19-33(20-16-29)55-31-9-3-1-4-10-31)37-38(40(44(51)52)39(37)43(49)50)42(48)46(28-36-14-8-24-54-36)26-30-17-21-34(22-18-30)56-32-11-5-2-6-12-32/h1-24,37-40H,25-28H2,(H,49,50)(H,51,52)