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

Systemtic Name: 2,4-bis[bis[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Openeye Name: 2,4-bis[bis[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid CAS Name: 2,4-bis[[bis[(4-phenoxyphenyl)methyl]amino]-oxomethyl]cyclobutane-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[bis[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Traditional Name: 2,4-bis[bis(4-phenoxybenzyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid Formula: C60H50N2O10 MolecularWeight: 959.0464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)CN(CC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)C5C(C(C5C(=O)O)C(=O)N(CC6=CC=C(C=C6)OC7=CC=CC=C7)CC8=CC=C(C=C8)OC9=CC=CC=C9)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)CN(CC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)C5C(C(C5C(=O)O)C(=O)N(CC6=CC=C(C=C6)OC7=CC=CC=C7)CC8=CC=C(C=C8)OC9=CC=CC=C9)C(=O)O

InChI

InChI=1S/C60H50N2O10/c63-57(61(37-41-21-29-49(30-22-41)69-45-13-5-1-6-14-45)38-42-23-31-50(32-24-42)70-46-15-7-2-8-16-46)53-55(59(65)66)54(56(53)60(67)68)58(64)62(39-43-25-33-51(34-26-43)71-47-17-9-3-10-18-47)40-44-27-35-52(36-28-44)72-48-19-11-4-12-20-48/h1-36,53-56H,37-40H2,(H,65,66)(H,67,68)