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

Systemtic Name: 2,4-bis[(4-phenoxyphenyl)methyl-(3-phenylpropyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid Openeye Name: 2,4-bis[(4-phenoxyphenyl)methyl-(3-phenylpropyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid CAS Name: 2,4-bis[oxo-[(4-phenoxyphenyl)methyl-(3-phenylpropyl)amino]methyl]cyclobutane-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[(4-phenoxyphenyl)methyl-(3-phenylpropyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid Traditional Name: 2,4-bis[(4-phenoxybenzyl)-(3-phenylpropyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid Formula: C52H50N2O8 MolecularWeight: 830.962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)O)C(=O)N(CCCC5=CC=CC=C5)CC6=CC=C(C=C6)OC7=CC=CC=C7)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCN(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)O)C(=O)N(CCCC5=CC=CC=C5)CC6=CC=C(C=C6)OC7=CC=CC=C7)C(=O)O

InChI

InChI=1S/C52H50N2O8/c55-49(53(33-13-19-37-15-5-1-6-16-37)35-39-25-29-43(30-26-39)61-41-21-9-3-10-22-41)45-47(51(57)58)46(48(45)52(59)60)50(56)54(34-14-20-38-17-7-2-8-18-38)36-40-27-31-44(32-28-40)62-42-23-11-4-12-24-42/h1-12,15-18,21-32,45-48H,13-14,19-20,33-36H2,(H,57,58)(H,59,60)