2-[(2-azanyl-5-bromanyl-phenyl)methylamino]-3-naphthalen-2-yl-propanoic acid

Systemtic Name: 2-[(2-azanyl-5-bromanyl-phenyl)methylamino]-3-naphthalen-2-yl-propanoic acid Openeye Name: 2-[(2-amino-5-bromo-phenyl)methylamino]-3-(2-naphthyl)propanoic acid CAS Name: 2-[(2-amino-5-bromophenyl)methylamino]-3-(2-naphthalenyl)propanoic acid IUPAC Name: 2-[(2-amino-5-bromophenyl)methylamino]-3-naphthalen-2-ylpropanoic acid Traditional Name: 2-[(2-amino-5-bromo-benzyl)amino]-3-(2-naphthyl)propionic acid Formula: C20H19BrN2O2 MolecularWeight: 399.28106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CC(C(=O)O)NCC3=C(C=CC(=C3)Br)N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CC(C(=O)O)NCC3=C(C=CC(=C3)Br)N

InChI

InChI=1S/C20H19BrN2O2/c21-17-7-8-18(22)16(11-17)12-23-19(20(24)25)10-13-5-6-14-3-1-2-4-15(14)9-13/h1-9,11,19,23H,10,12,22H2,(H,24,25)