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

Systemtic Name: 4-[[[3-[3-(4-bromophenyl)prop-1-ynyl]phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[3-[3-(4-bromophenyl)prop-1-ynyl]benzoyl]amino]methyl]benzoic acid CAS Name: 4-[[[[3-[3-(4-bromophenyl)prop-1-ynyl]phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-[3-(4-bromophenyl)prop-1-ynyl]benzoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-[3-(4-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)C(=O)NCC2=CC=C(C=C2)C(=O)O)C#CCC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)C(=O)O)C#CCC3=CC=C(C=C3)Br

InChI

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