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

Systemtic Name: 2,4-bis[carboxymethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Openeye Name: 2,4-bis[carboxymethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid CAS Name: 2,4-bis[[carboxymethyl-[(4-phenoxyphenyl)methyl]amino]-oxomethyl]cyclobutane-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[carboxymethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Traditional Name: 2,4-bis[carboxymethyl-(4-phenoxybenzyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid Formula: C38H34N2O12 MolecularWeight: 710.68276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H34N2O12/c41-29(42)21-39(19-23-11-15-27(16-12-23)51-25-7-3-1-4-8-25)35(45)31-33(37(47)48)32(34(31)38(49)50)36(46)40(22-30(43)44)20-24-13-17-28(18-14-24)52-26-9-5-2-6-10-26/h1-18,31-34H,19-22H2,(H,41,42)(H,43,44)(H,47,48)(H,49,50)