2-[[2-(2-naphthalen-1-ylpent-4-ynoylamino)phenyl]methyl]benzoic acid

Systemtic Name: 2-[[2-(2-naphthalen-1-ylpent-4-ynoylamino)phenyl]methyl]benzoic acid Openeye Name: 2-[[2-[2-(1-naphthyl)pent-4-ynoylamino]phenyl]methyl]benzoic acid CAS Name: 2-[[2-[[2-(1-naphthalenyl)-1-oxopent-4-ynyl]amino]phenyl]methyl]benzoic acid IUPAC Name: 2-[[2-(2-naphthalen-1-ylpent-4-ynoylamino)phenyl]methyl]benzoic acid Traditional Name: 2-[2-[2-(1-naphthyl)pent-4-ynoylamino]benzyl]benzoic acid Formula: C29H23NO3 MolecularWeight: 433.49782

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=CC=CC=C3CC4=CC=CC=C4C(=O)O

Isomeric SMILES

C#CCC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=CC=CC=C3CC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C29H23NO3/c1-2-10-26(25-17-9-14-20-11-3-6-15-23(20)25)28(31)30-27-18-8-5-13-22(27)19-21-12-4-7-16-24(21)29(32)33/h1,3-9,11-18,26H,10,19H2,(H,30,31)(H,32,33)