methyl 4-[[6-(3-bromophenyl)-2-methyl-pyridin-3-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[6-(3-bromophenyl)-2-methyl-pyridin-3-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[6-(3-bromophenyl)-2-methyl-pyridine-3-carbonyl]amino]butanoate CAS Name: 4-[[[6-(3-bromophenyl)-2-methyl-3-pyridinyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]amino]butanoate Traditional Name: 4-[[6-(3-bromophenyl)-2-methyl-nicotinoyl]amino]butyric acid methyl ester Formula: C18H19BrN2O3 MolecularWeight: 391.25906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2O3/c1-12-15(18(23)20-10-4-7-17(22)24-2)8-9-16(21-12)13-5-3-6-14(19)11-13/h3,5-6,8-9,11H,4,7,10H2,1-2H3,(H,20,23)