methyl 7-[[6-(3-bromophenyl)-2-methyl-pyridin-3-yl]carbonylamino]heptanoate

Systemtic Name: methyl 7-[[6-(3-bromophenyl)-2-methyl-pyridin-3-yl]carbonylamino]heptanoate Openeye Name: methyl 7-[[6-(3-bromophenyl)-2-methyl-pyridine-3-carbonyl]amino]heptanoate CAS Name: 7-[[[6-(3-bromophenyl)-2-methyl-3-pyridinyl]-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]amino]heptanoate Traditional Name: 7-[[6-(3-bromophenyl)-2-methyl-nicotinoyl]amino]enanthic acid methyl ester Formula: C21H25BrN2O3 MolecularWeight: 433.3388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C2=CC(=CC=C2)Br)C(=O)NCCCCCCC(=O)OC

Isomeric SMILES

CC1=C(C=CC(=N1)C2=CC(=CC=C2)Br)C(=O)NCCCCCCC(=O)OC

InChI

InChI=1S/C21H25BrN2O3/c1-15-18(11-12-19(24-15)16-8-7-9-17(22)14-16)21(26)23-13-6-4-3-5-10-20(25)27-2/h7-9,11-12,14H,3-6,10,13H2,1-2H3,(H,23,26)