2,2-bis[4-(pent-1-yn-3-ylamino)phenyl]propanoic acid

Systemtic Name: 2,2-bis[4-(pent-1-yn-3-ylamino)phenyl]propanoic acid Openeye Name: 2,2-bis[4-(1-ethylprop-2-ynylamino)phenyl]propanoic acid CAS Name: 2,2-bis[4-(pent-1-yn-3-ylamino)phenyl]propanoic acid IUPAC Name: 2,2-bis[4-(pent-1-yn-3-ylamino)phenyl]propanoic acid Traditional Name: 2,2-bis[4-(1-ethylprop-2-ynylamino)phenyl]propionic acid Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#C)NC1=CC=C(C=C1)C(C)(C2=CC=C(C=C2)NC(CC)C#C)C(=O)O

Isomeric SMILES

CCC(C#C)NC1=CC=C(C=C1)C(C)(C2=CC=C(C=C2)NC(CC)C#C)C(=O)O

InChI

InChI=1S/C25H28N2O2/c1-6-20(7-2)26-22-14-10-18(11-15-22)25(5,24(28)29)19-12-16-23(17-13-19)27-21(8-3)9-4/h1,3,10-17,20-21,26-27H,7,9H2,2,4-5H3,(H,28,29)