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

Systemtic Name: 4-[[[2-[3-(3-bromophenyl)prop-1-ynyl]pyridin-4-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[2-[3-(3-bromophenyl)prop-1-ynyl]pyridine-4-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[2-[3-(3-bromophenyl)prop-1-ynyl]-4-pyridinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-[3-(3-bromophenyl)prop-1-ynyl]pyridine-4-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-[3-(3-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(=C1)Br)CC#CC2=NC=CC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H17BrN2O3/c24-20-5-1-3-16(13-20)4-2-6-21-14-19(11-12-25-21)22(27)26-15-17-7-9-18(10-8-17)23(28)29/h1,3,5,7-14H,4,15H2,(H,26,27)(H,28,29)