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

Systemtic Name: 2,4-bis[dibenzofuran-2-ylmethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Openeye Name: 2,4-bis[dibenzofuran-2-ylmethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid CAS Name: 2,4-bis[[2-dibenzofuranylmethyl-[(4-phenoxyphenyl)methyl]amino]-oxomethyl]cyclobutane-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[dibenzofuran-2-ylmethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Traditional Name: 2,4-bis[dibenzofuran-2-ylmethyl-(4-phenoxybenzyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid Formula: C60H46N2O10 MolecularWeight: 955.01464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)CN(CC3=CC4=C(C=C3)OC5=CC=CC=C54)C(=O)C6C(C(C6C(=O)O)C(=O)N(CC7=CC=C(C=C7)OC8=CC=CC=C8)CC9=CC1=C(C=C9)OC2=CC=CC=C21)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)CN(CC3=CC4=C(C=C3)OC5=CC=CC=C54)C(=O)C6C(C(C6C(=O)O)C(=O)N(CC7=CC=C(C=C7)OC8=CC=CC=C8)CC9=CC1=C(C=C9)OC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C60H46N2O10/c63-57(61(33-37-19-25-43(26-20-37)69-41-11-3-1-4-12-41)35-39-23-29-51-47(31-39)45-15-7-9-17-49(45)71-51)53-55(59(65)66)54(56(53)60(67)68)58(64)62(34-38-21-27-44(28-22-38)70-42-13-5-2-6-14-42)36-40-24-30-52-48(32-40)46-16-8-10-18-50(46)72-52/h1-32,53-56H,33-36H2,(H,65,66)(H,67,68)