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

Systemtic Name: 2,4-bis[2-hydroxyethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Openeye Name: 2,4-bis[2-hydroxyethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid CAS Name: 2,4-bis[[2-hydroxyethyl-[(4-phenoxyphenyl)methyl]amino]-oxomethyl]cyclobutane-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[2-hydroxyethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Traditional Name: 2,4-bis[2-hydroxyethyl-(4-phenoxybenzyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid Formula: C38H38N2O10 MolecularWeight: 682.71572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)CN(CCO)C(=O)C3C(C(C3C(=O)O)C(=O)N(CCO)CC4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)CN(CCO)C(=O)C3C(C(C3C(=O)O)C(=O)N(CCO)CC4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C38H38N2O10/c41-21-19-39(23-25-11-15-29(16-12-25)49-27-7-3-1-4-8-27)35(43)31-33(37(45)46)32(34(31)38(47)48)36(44)40(20-22-42)24-26-13-17-30(18-14-26)50-28-9-5-2-6-10-28/h1-18,31-34,41-42H,19-24H2,(H,45,46)(H,47,48)