3,4-bis[(4-phenoxyphenyl)methylcarbamoyl-propyl-amino]cyclobutane-1,2-dicarboxylic acid

Systemtic Name: 3,4-bis[(4-phenoxyphenyl)methylcarbamoyl-propyl-amino]cyclobutane-1,2-dicarboxylic acid Openeye Name: 3,4-bis[(4-phenoxyphenyl)methylcarbamoyl-propyl-amino]cyclobutane-1,2-dicarboxylic acid CAS Name: 3,4-bis[[oxo-[(4-phenoxyphenyl)methylamino]methyl]-propylamino]cyclobutane-1,2-dicarboxylic acid IUPAC Name: 3,4-bis[(4-phenoxyphenyl)methylcarbamoyl-propylamino]cyclobutane-1,2-dicarboxylic acid Traditional Name: 3,4-bis[(4-phenoxybenzyl)carbamoyl-propyl-amino]cyclobutane-1,2-dicarboxylic acid Formula: C40H44N4O8 MolecularWeight: 708.79936

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1C(C(C1N(CCC)C(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O)C(=O)O)C(=O)NCC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CCCN(C1C(C(C1N(CCC)C(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O)C(=O)O)C(=O)NCC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C40H44N4O8/c1-3-23-43(39(49)41-25-27-15-19-31(20-16-27)51-29-11-7-5-8-12-29)35-33(37(45)46)34(38(47)48)36(35)44(24-4-2)40(50)42-26-28-17-21-32(22-18-28)52-30-13-9-6-10-14-30/h5-22,33-36H,3-4,23-26H2,1-2H3,(H,41,49)(H,42,50)(H,45,46)(H,47,48)