[2-azanyl-3-[4-(1-methyl-2-oxidanylidene-pyridin-3-yl)phenyl]propanoyl] 2-bromanyl-5-methoxy-benzoate

Systemtic Name: [2-azanyl-3-[4-(1-methyl-2-oxidanylidene-pyridin-3-yl)phenyl]propanoyl] 2-bromanyl-5-methoxy-benzoate Openeye Name: [2-amino-3-[4-(1-methyl-2-oxo-3-pyridyl)phenyl]propanoyl] 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [2-amino-3-[4-(1-methyl-2-oxo-3-pyridinyl)phenyl]-1-oxopropyl] ester IUPAC Name: [2-amino-3-[4-(1-methyl-2-oxopyridin-3-yl)phenyl]propanoyl] 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [2-amino-3-[4-(2-keto-1-methyl-3-pyridyl)phenyl]propanoyl] ester Formula: C23H21BrN2O5 MolecularWeight: 485.32724

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C(C1=O)C2=CC=C(C=C2)CC(C(=O)OC(=O)C3=C(C=CC(=C3)OC)Br)N

Isomeric SMILES

CN1C=CC=C(C1=O)C2=CC=C(C=C2)CC(C(=O)OC(=O)C3=C(C=CC(=C3)OC)Br)N

InChI

InChI=1S/C23H21BrN2O5/c1-26-11-3-4-17(21(26)27)15-7-5-14(6-8-15)12-20(25)23(29)31-22(28)18-13-16(30-2)9-10-19(18)24/h3-11,13,20H,12,25H2,1-2H3