3-(4-naphthalen-1-ylphenyl)-2-[(phenylmethyl)amino]propanoate hydrochloride

Systemtic Name: 3-(4-naphthalen-1-ylphenyl)-2-[(phenylmethyl)amino]propanoate hydrochloride Openeye Name: 2-(benzylamino)-3-[4-(1-naphthyl)phenyl]propanoate hydrochloride CAS Name: 3-[4-(1-naphthalenyl)phenyl]-2-[(phenylmethyl)amino]propanoate hydrochloride IUPAC Name: 2-(benzylamino)-3-(4-naphthalen-1-ylphenyl)propanoate hydrochloride Traditional Name: 2-(benzylamino)-3-[4-(1-naphthyl)phenyl]propionate hydrochloride Formula: C26H23ClNO2- MolecularWeight: 416.91932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(CC2=CC=C(C=C2)C3=CC=CC4=CC=CC=C43)C(=O)[O-].Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(CC2=CC=C(C=C2)C3=CC=CC4=CC=CC=C43)C(=O)[O-].Cl

InChI

InChI=1S/C26H23NO2.ClH/c28-26(29)25(27-18-20-7-2-1-3-8-20)17-19-13-15-22(16-14-19)24-12-6-10-21-9-4-5-11-23(21)24;/h1-16,25,27H,17-18H2,(H,28,29);1H/p-1