methyl 3-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]carbonylamino]-4-chloranyl-benzoate

Systemtic Name: methyl 3-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]carbonylamino]-4-chloranyl-benzoate Openeye Name: methyl 3-[[1-[(3-bromophenyl)methyl]piperidine-4-carbonyl]amino]-4-chloro-benzoate CAS Name: 3-[[[1-[(3-bromophenyl)methyl]-4-piperidinyl]-oxomethyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[[1-[(3-bromophenyl)methyl]piperidine-4-carbonyl]amino]-4-chlorobenzoate Traditional Name: 3-[[1-(3-bromobenzyl)isonipecotoyl]amino]-4-chloro-benzoic acid methyl ester Formula: C21H22BrClN2O3 MolecularWeight: 465.76798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCN(CC2)CC3=CC(=CC=C3)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCN(CC2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H22BrClN2O3/c1-28-21(27)16-5-6-18(23)19(12-16)24-20(26)15-7-9-25(10-8-15)13-14-3-2-4-17(22)11-14/h2-6,11-12,15H,7-10,13H2,1H3,(H,24,26)