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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CCCN(C2)CC3=CC(=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CCCN(C2)CC3=CC(=CC=C3)Br)OC

InChI

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