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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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