2,2-bis[4-azanyl-2,3-bis(prop-2-ynyl)phenyl]propanoic acid

Systemtic Name: 2,2-bis[4-azanyl-2,3-bis(prop-2-ynyl)phenyl]propanoic acid Openeye Name: 2,2-bis[4-amino-2,3-bis(prop-2-ynyl)phenyl]propanoic acid CAS Name: 2,2-bis[4-amino-2,3-bis(prop-2-ynyl)phenyl]propanoic acid IUPAC Name: 2,2-bis[4-amino-2,3-bis(prop-2-ynyl)phenyl]propanoic acid Traditional Name: 2,2-bis(4-amino-2,3-dipropargyl-phenyl)propionic acid Formula: C27H24N2O2 MolecularWeight: 408.49166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=C(C=C1)N)CC#C)CC#C)(C2=C(C(=C(C=C2)N)CC#C)CC#C)C(=O)O

Isomeric SMILES

CC(C1=C(C(=C(C=C1)N)CC#C)CC#C)(C2=C(C(=C(C=C2)N)CC#C)CC#C)C(=O)O

InChI

InChI=1S/C27H24N2O2/c1-6-10-18-20(12-8-3)24(28)16-14-22(18)27(5,26(30)31)23-15-17-25(29)21(13-9-4)19(23)11-7-2/h1-4,14-17H,10-13,28-29H2,5H3,(H,30,31)