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

Systemtic Name: 2,4-bis[4-phenylbut-2-ynyl(propyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid Openeye Name: 2,4-bis[4-phenylbut-2-ynyl(propyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid CAS Name: 2,4-bis[oxo-[4-phenylbut-2-ynyl(propyl)amino]methyl]cyclobutane-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[4-phenylbut-2-ynyl(propyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid Traditional Name: 2,4-bis[4-phenylbut-2-ynyl(propyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid Formula: C34H38N2O6 MolecularWeight: 570.67532

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC#CCC1=CC=CC=C1)C(=O)C2C(C(C2C(=O)O)C(=O)N(CCC)CC#CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCN(CC#CCC1=CC=CC=C1)C(=O)C2C(C(C2C(=O)O)C(=O)N(CCC)CC#CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C34H38N2O6/c1-3-21-35(23-13-11-19-25-15-7-5-8-16-25)31(37)27-29(33(39)40)28(30(27)34(41)42)32(38)36(22-4-2)24-14-12-20-26-17-9-6-10-18-26/h5-10,15-18,27-30H,3-4,19-24H2,1-2H3,(H,39,40)(H,41,42)