3,5-bis[(2,5-diethynylphenyl)carbamoylamino]benzoic acid

Systemtic Name: 3,5-bis[(2,5-diethynylphenyl)carbamoylamino]benzoic acid Openeye Name: 3,5-bis[(2,5-diethynylphenyl)carbamoylamino]benzoic acid CAS Name: 3,5-bis[[(2,5-diethynylanilino)-oxomethyl]amino]benzoic acid IUPAC Name: 3,5-bis[(2,5-diethynylphenyl)carbamoylamino]benzoic acid Traditional Name: 3,5-bis[(2,5-diethynylphenyl)carbamoylamino]benzoic acid Formula: C29H18N4O4 MolecularWeight: 486.47762

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=C(C=C1)C#C)NC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)NC3=C(C=CC(=C3)C#C)C#C

Isomeric SMILES

C#CC1=CC(=C(C=C1)C#C)NC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)NC3=C(C=CC(=C3)C#C)C#C

InChI

InChI=1S/C29H18N4O4/c1-5-18-9-11-20(7-3)25(13-18)32-28(36)30-23-15-22(27(34)35)16-24(17-23)31-29(37)33-26-14-19(6-2)10-12-21(26)8-4/h1-4,9-17H,(H,34,35)(H2,30,32,36)(H2,31,33,37)