4-[[[3-[3-(3-bromophenyl)prop-1-ynyl]phenyl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[3-[3-(3-bromophenyl)prop-1-ynyl]phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[3-[3-(3-bromophenyl)prop-1-ynyl]benzoyl]amino]methyl]benzoic acid CAS Name: 4-[[[[3-[3-(3-bromophenyl)prop-1-ynyl]phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-[3-(3-bromophenyl)prop-1-ynyl]benzoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-[3-(3-bromophenyl)prop-1-ynyl]benzoyl]amino]methyl]benzoic acid Formula: C24H18BrNO3 MolecularWeight: 448.30862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18BrNO3/c25-22-9-3-7-18(15-22)5-1-4-17-6-2-8-21(14-17)23(27)26-16-19-10-12-20(13-11-19)24(28)29/h2-3,6-15H,5,16H2,(H,26,27)(H,28,29)