bis[4-[(3-ethynylphenyl)carbamoyl]phenyl] benzene-1,4-dicarboxylate

Systemtic Name: bis[4-[(3-ethynylphenyl)carbamoyl]phenyl] benzene-1,4-dicarboxylate Openeye Name: bis[4-[(3-ethynylphenyl)carbamoyl]phenyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid bis[4-[(3-ethynylanilino)-oxomethyl]phenyl] ester IUPAC Name: bis[4-[(3-ethynylphenyl)carbamoyl]phenyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid bis[4-[(3-ethynylphenyl)carbamoyl]phenyl] ester Formula: C38H24N2O6 MolecularWeight: 604.60696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C(=O)OC4=CC=C(C=C4)C(=O)NC5=CC=CC(=C5)C#C

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C(=O)OC4=CC=C(C=C4)C(=O)NC5=CC=CC(=C5)C#C

InChI

InChI=1S/C38H24N2O6/c1-3-25-7-5-9-31(23-25)39-35(41)27-15-19-33(20-16-27)45-37(43)29-11-13-30(14-12-29)38(44)46-34-21-17-28(18-22-34)36(42)40-32-10-6-8-26(4-2)24-32/h1-2,5-24H,(H,39,41)(H,40,42)