methyl 2-[[4-[2-(5-bromanyl-2-methoxy-phenyl)ethanoylamino]piperidin-4-yl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[[4-[2-(5-bromanyl-2-methoxy-phenyl)ethanoylamino]piperidin-4-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[[4-[[2-(5-bromo-2-methoxy-phenyl)acetyl]amino]piperidine-4-carbonyl]amino]-3-hydroxy-propanoate CAS Name: 2-[[[4-[[2-(5-bromo-2-methoxyphenyl)-1-oxoethyl]amino]-4-piperidinyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[[4-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]piperidine-4-carbonyl]amino]-3-hydroxypropanoate Traditional Name: 2-[[4-[[2-(5-bromo-2-methoxy-phenyl)acetyl]amino]isonipecotoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C19H26BrN3O6 MolecularWeight: 472.33024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CC(=O)NC2(CCNCC2)C(=O)NC(CO)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CC(=O)NC2(CCNCC2)C(=O)NC(CO)C(=O)OC

InChI

InChI=1S/C19H26BrN3O6/c1-28-15-4-3-13(20)9-12(15)10-16(25)23-19(5-7-21-8-6-19)18(27)22-14(11-24)17(26)29-2/h3-4,9,14,21,24H,5-8,10-11H2,1-2H3,(H,22,27)(H,23,25)