2-[[2-azanyl-3-(2-chlorophenyl)propyl]amino]-5-bromanyl-benzoic acid

Systemtic Name: 2-[[2-azanyl-3-(2-chlorophenyl)propyl]amino]-5-bromanyl-benzoic acid Openeye Name: 2-[[2-amino-3-(2-chlorophenyl)propyl]amino]-5-bromo-benzoic acid CAS Name: 2-[[2-amino-3-(2-chlorophenyl)propyl]amino]-5-bromobenzoic acid IUPAC Name: 2-[[2-amino-3-(2-chlorophenyl)propyl]amino]-5-bromobenzoic acid Traditional Name: 2-[[2-amino-3-(2-chlorophenyl)propyl]amino]-5-bromo-benzoic acid Formula: C16H16BrClN2O2 MolecularWeight: 383.66744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(CNC2=C(C=C(C=C2)Br)C(=O)O)N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CC(CNC2=C(C=C(C=C2)Br)C(=O)O)N)Cl

InChI

InChI=1S/C16H16BrClN2O2/c17-11-5-6-15(13(8-11)16(21)22)20-9-12(19)7-10-3-1-2-4-14(10)18/h1-6,8,12,20H,7,9,19H2,(H,21,22)