methyl 2-[[(6-bromanylpyridin-3-yl)methyl-butyl-carbamoyl]amino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[[(6-bromanylpyridin-3-yl)methyl-butyl-carbamoyl]amino]-3-methyl-pentanoate Openeye Name: methyl 2-[[(6-bromo-3-pyridyl)methyl-butyl-carbamoyl]amino]-3-methyl-pentanoate CAS Name: 2-[[[(6-bromo-3-pyridinyl)methyl-butylamino]-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[(6-bromopyridin-3-yl)methyl-butylcarbamoyl]amino]-3-methylpentanoate Traditional Name: 2-[[(6-bromo-3-pyridyl)methyl-butyl-carbamoyl]amino]-3-methyl-valeric acid methyl ester Formula: C18H28BrN3O3 MolecularWeight: 414.33722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CN=C(C=C1)Br)C(=O)NC(C(C)CC)C(=O)OC

Isomeric SMILES

CCCCN(CC1=CN=C(C=C1)Br)C(=O)NC(C(C)CC)C(=O)OC

InChI

InChI=1S/C18H28BrN3O3/c1-5-7-10-22(12-14-8-9-15(19)20-11-14)18(24)21-16(13(3)6-2)17(23)25-4/h8-9,11,13,16H,5-7,10,12H2,1-4H3,(H,21,24)