2-[[2-(2-naphthalen-1-ylheptanoylamino)phenyl]methyl]benzoic acid

Systemtic Name: 2-[[2-(2-naphthalen-1-ylheptanoylamino)phenyl]methyl]benzoic acid Openeye Name: 2-[[2-[2-(1-naphthyl)heptanoylamino]phenyl]methyl]benzoic acid CAS Name: 2-[[2-[[2-(1-naphthalenyl)-1-oxoheptyl]amino]phenyl]methyl]benzoic acid IUPAC Name: 2-[[2-(2-naphthalen-1-ylheptanoylamino)phenyl]methyl]benzoic acid Traditional Name: 2-[2-[2-(1-naphthyl)heptanoylamino]benzyl]benzoic acid Formula: C31H31NO3 MolecularWeight: 465.58274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H31NO3/c1-2-3-4-18-28(27-19-11-15-22-12-5-8-16-25(22)27)30(33)32-29-20-10-7-14-24(29)21-23-13-6-9-17-26(23)31(34)35/h5-17,19-20,28H,2-4,18,21H2,1H3,(H,32,33)(H,34,35)