methyl 2-[[1-(4-bromophenyl)carbonylpiperidin-4-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[[1-(4-bromophenyl)carbonylpiperidin-4-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]-4-methyl-pentanoate CAS Name: 2-[[[1-[(4-bromophenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]-4-methylpentanoate Traditional Name: 2-[[1-(4-bromobenzoyl)isonipecotoyl]amino]-4-methyl-valeric acid methyl ester Formula: C20H27BrN2O4 MolecularWeight: 439.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H27BrN2O4/c1-13(2)12-17(20(26)27-3)22-18(24)14-8-10-23(11-9-14)19(25)15-4-6-16(21)7-5-15/h4-7,13-14,17H,8-12H2,1-3H3,(H,22,24)