ethyl 2-(aminomethyl)-3-[bromanyl(ethanoyl)amino]-3-(1-pyridin-4-ylpiperidin-2-yl)propanoate

Systemtic Name: ethyl 2-(aminomethyl)-3-[bromanyl(ethanoyl)amino]-3-(1-pyridin-4-ylpiperidin-2-yl)propanoate Openeye Name: ethyl 3-[acetyl(bromo)amino]-2-(aminomethyl)-3-[1-(4-pyridyl)-2-piperidyl]propanoate CAS Name: 3-[acetyl(bromo)amino]-2-(aminomethyl)-3-(1-pyridin-4-yl-2-piperidinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[acetyl(bromo)amino]-2-(aminomethyl)-3-(1-pyridin-4-ylpiperidin-2-yl)propanoate Traditional Name: 3-[acetyl(bromo)amino]-2-(aminomethyl)-3-[1-(4-pyridyl)-2-piperidyl]propionic acid ethyl ester Formula: C18H27BrN4O3 MolecularWeight: 427.33598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CN)C(C1CCCCN1C2=CC=NC=C2)N(C(=O)C)Br

Isomeric SMILES

CCOC(=O)C(CN)C(C1CCCCN1C2=CC=NC=C2)N(C(=O)C)Br

InChI

InChI=1S/C18H27BrN4O3/c1-3-26-18(25)15(12-20)17(23(19)13(2)24)16-6-4-5-11-22(16)14-7-9-21-10-8-14/h7-10,15-17H,3-6,11-12,20H2,1-2H3