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

Systemtic Name: 4-[[[3-(3-phenylbut-1-ynyl)phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[3-(3-phenylbut-1-ynyl)benzoyl]amino]methyl]benzoic acid CAS Name: 4-[[[oxo-[3-(3-phenylbut-1-ynyl)phenyl]methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-(3-phenylbut-1-ynyl)benzoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-(3-phenylbut-1-ynyl)benzoyl]amino]methyl]benzoic acid Formula: C25H21NO3 MolecularWeight: 383.43914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC(=CC=C1)C(=O)NCC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C#CC1=CC(=CC=C1)C(=O)NCC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C25H21NO3/c1-18(21-7-3-2-4-8-21)10-11-19-6-5-9-23(16-19)24(27)26-17-20-12-14-22(15-13-20)25(28)29/h2-9,12-16,18H,17H2,1H3,(H,26,27)(H,28,29)