4-[[[2-[3-(4-bromophenyl)prop-1-ynyl]pyridin-4-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[2-[3-(4-bromophenyl)prop-1-ynyl]pyridin-4-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[2-[3-(4-bromophenyl)prop-1-ynyl]pyridine-4-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[2-[3-(4-bromophenyl)prop-1-ynyl]-4-pyridinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-[3-(4-bromophenyl)prop-1-ynyl]pyridine-4-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-[3-(4-bromophenyl)prop-1-ynyl]isonicotinoyl]amino]methyl]benzoic acid Formula: C23H17BrN2O3 MolecularWeight: 449.29668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#CC2=NC=CC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1CC#CC2=NC=CC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O)Br

InChI

InChI=1S/C23H17BrN2O3/c24-20-10-6-16(7-11-20)2-1-3-21-14-19(12-13-25-21)22(27)26-15-17-4-8-18(9-5-17)23(28)29/h4-14H,2,15H2,(H,26,27)(H,28,29)