3-[2-[1-[4-(aminomethyl)phenyl]piperidin-4-yl]ethanoyl-methyl-amino]propanoic acid

Systemtic Name: 3-[2-[1-[4-(aminomethyl)phenyl]piperidin-4-yl]ethanoyl-methyl-amino]propanoic acid Openeye Name: 3-[[2-[1-[4-(aminomethyl)phenyl]-4-piperidyl]acetyl]-methyl-amino]propanoic acid CAS Name: 3-[[2-[1-[4-(aminomethyl)phenyl]-4-piperidinyl]-1-oxoethyl]-methylamino]propanoic acid IUPAC Name: 3-[[2-[1-[4-(aminomethyl)phenyl]piperidin-4-yl]acetyl]-methylamino]propanoic acid Traditional Name: 3-[[2-[1-[4-(aminomethyl)phenyl]-4-piperidyl]acetyl]-methyl-amino]propionic acid Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)O)C(=O)CC1CCN(CC1)C2=CC=C(C=C2)CN

Isomeric SMILES

CN(CCC(=O)O)C(=O)CC1CCN(CC1)C2=CC=C(C=C2)CN

InChI

InChI=1S/C18H27N3O3/c1-20(9-8-18(23)24)17(22)12-14-6-10-21(11-7-14)16-4-2-15(13-19)3-5-16/h2-5,14H,6-13,19H2,1H3,(H,23,24)