methyl 2-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]carbonylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]carbonylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[1-[(3-bromophenyl)methyl]piperidine-4-carbonyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[[1-[(3-bromophenyl)methyl]-4-piperidinyl]-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[1-[(3-bromophenyl)methyl]piperidine-4-carbonyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[1-(3-bromobenzyl)isonipecotoyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C23H27BrN2O5 MolecularWeight: 491.37488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CCN(CC2)CC3=CC(=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CCN(CC2)CC3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C23H27BrN2O5/c1-29-20-12-18(23(28)31-3)19(13-21(20)30-2)25-22(27)16-7-9-26(10-8-16)14-15-5-4-6-17(24)11-15/h4-6,11-13,16H,7-10,14H2,1-3H3,(H,25,27)