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

Systemtic Name: 3,4-bis[(3-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1,2-dicarboxylic acid Openeye Name: 3,4-bis[(3-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1,2-dicarboxylic acid CAS Name: 3,4-bis[oxo-[(3-phenoxyphenyl)methyl-propylamino]methyl]cyclobutane-1,2-dicarboxylic acid IUPAC Name: 3,4-bis[(3-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutane-1,2-dicarboxylic acid Traditional Name: 3,4-bis[(3-phenoxybenzyl)-propyl-carbamoyl]cyclobutane-1,2-dicarboxylic acid Formula: C40H42N2O8 MolecularWeight: 678.77008

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)N(CCC)CC4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CCCN(CC1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)N(CCC)CC4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C40H42N2O8/c1-3-21-41(25-27-13-11-19-31(23-27)49-29-15-7-5-8-16-29)37(43)33-34(36(40(47)48)35(33)39(45)46)38(44)42(22-4-2)26-28-14-12-20-32(24-28)50-30-17-9-6-10-18-30/h5-20,23-24,33-36H,3-4,21-22,25-26H2,1-2H3,(H,45,46)(H,47,48)