2-[[2-azanyl-3-(4-methoxyphenyl)propyl]amino]-5-bromanyl-benzoic acid

Systemtic Name: 2-[[2-azanyl-3-(4-methoxyphenyl)propyl]amino]-5-bromanyl-benzoic acid Openeye Name: 2-[[2-amino-3-(4-methoxyphenyl)propyl]amino]-5-bromo-benzoic acid CAS Name: 2-[[2-amino-3-(4-methoxyphenyl)propyl]amino]-5-bromobenzoic acid IUPAC Name: 2-[[2-amino-3-(4-methoxyphenyl)propyl]amino]-5-bromobenzoic acid Traditional Name: 2-[[2-amino-3-(4-methoxyphenyl)propyl]amino]-5-bromo-benzoic acid Formula: C17H19BrN2O3 MolecularWeight: 379.24836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(CNC2=C(C=C(C=C2)Br)C(=O)O)N

Isomeric SMILES

COC1=CC=C(C=C1)CC(CNC2=C(C=C(C=C2)Br)C(=O)O)N

InChI

InChI=1S/C17H19BrN2O3/c1-23-14-5-2-11(3-6-14)8-13(19)10-20-16-7-4-12(18)9-15(16)17(21)22/h2-7,9,13,20H,8,10,19H2,1H3,(H,21,22)