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

Systemtic Name: 3,4-bis[(4-phenoxyphenyl)methyl-prop-2-ynyl-carbamoyl]cyclobutane-1,2-dicarboxylic acid Openeye Name: 3,4-bis[(4-phenoxyphenyl)methyl-prop-2-ynyl-carbamoyl]cyclobutane-1,2-dicarboxylic acid CAS Name: 3,4-bis[oxo-[(4-phenoxyphenyl)methyl-prop-2-ynylamino]methyl]cyclobutane-1,2-dicarboxylic acid IUPAC Name: 3,4-bis[(4-phenoxyphenyl)methyl-prop-2-ynylcarbamoyl]cyclobutane-1,2-dicarboxylic acid Traditional Name: 3,4-bis[(4-phenoxybenzyl)-propargyl-carbamoyl]cyclobutane-1,2-dicarboxylic acid Formula: C40H34N2O8 MolecularWeight: 670.70656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H34N2O8/c1-3-23-41(25-27-15-19-31(20-16-27)49-29-11-7-5-8-12-29)37(43)33-34(36(40(47)48)35(33)39(45)46)38(44)42(24-4-2)26-28-17-21-32(22-18-28)50-30-13-9-6-10-14-30/h1-2,5-22,33-36H,23-26H2,(H,45,46)(H,47,48)