2-[(2-azanyl-5-bromanyl-phenyl)methylamino]-3-naphthalen-1-yl-propanoic acid

Systemtic Name: 2-[(2-azanyl-5-bromanyl-phenyl)methylamino]-3-naphthalen-1-yl-propanoic acid Openeye Name: 2-[(2-amino-5-bromo-phenyl)methylamino]-3-(1-naphthyl)propanoic acid CAS Name: 2-[(2-amino-5-bromophenyl)methylamino]-3-(1-naphthalenyl)propanoic acid IUPAC Name: 2-[(2-amino-5-bromophenyl)methylamino]-3-naphthalen-1-ylpropanoic acid Traditional Name: 2-[(2-amino-5-bromo-benzyl)amino]-3-(1-naphthyl)propionic acid Formula: C20H19BrN2O2 MolecularWeight: 399.28106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC(C(=O)O)NCC3=C(C=CC(=C3)Br)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC(C(=O)O)NCC3=C(C=CC(=C3)Br)N

InChI

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