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

Systemtic Name: 2,4-bis[(2-methoxy-2-oxidanylidene-ethyl)-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Openeye Name: 2,4-bis[(2-methoxy-2-oxo-ethyl)-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid CAS Name: 2,4-bis[[(2-methoxy-2-oxoethyl)-[(4-phenoxyphenyl)methyl]amino]-oxomethyl]cyclobutane-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[(2-methoxy-2-oxoethyl)-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Traditional Name: 2,4-bis[(2-keto-2-methoxy-ethyl)-(4-phenoxybenzyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid Formula: C40H38N2O12 MolecularWeight: 738.73592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)N(CC4=CC=C(C=C4)OC5=CC=CC=C5)CC(=O)OC)C(=O)O

Isomeric SMILES

COC(=O)CN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)N(CC4=CC=C(C=C4)OC5=CC=CC=C5)CC(=O)OC)C(=O)O

InChI

InChI=1S/C40H38N2O12/c1-51-31(43)23-41(21-25-13-17-29(18-14-25)53-27-9-5-3-6-10-27)37(45)33-35(39(47)48)34(36(33)40(49)50)38(46)42(24-32(44)52-2)22-26-15-19-30(20-16-26)54-28-11-7-4-8-12-28/h3-20,33-36H,21-24H2,1-2H3,(H,47,48)(H,49,50)