3-[2-methoxy-5-[(1-naphthalen-1-ylethylamino)methyl]phenyl]benzoic acid

Systemtic Name: 3-[2-methoxy-5-[(1-naphthalen-1-ylethylamino)methyl]phenyl]benzoic acid Openeye Name: 3-[2-methoxy-5-[[1-(1-naphthyl)ethylamino]methyl]phenyl]benzoic acid CAS Name: 3-[2-methoxy-5-[[1-(1-naphthalenyl)ethylamino]methyl]phenyl]benzoic acid IUPAC Name: 3-[2-methoxy-5-[(1-naphthalen-1-ylethylamino)methyl]phenyl]benzoic acid Traditional Name: 3-[2-methoxy-5-[[1-(1-naphthyl)ethylamino]methyl]phenyl]benzoic acid Formula: C27H25NO3 MolecularWeight: 411.4923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NCC3=CC(=C(C=C3)OC)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NCC3=CC(=C(C=C3)OC)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C27H25NO3/c1-18(23-12-6-8-20-7-3-4-11-24(20)23)28-17-19-13-14-26(31-2)25(15-19)21-9-5-10-22(16-21)27(29)30/h3-16,18,28H,17H2,1-2H3,(H,29,30)