(2R)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]propanoic acid

Systemtic Name: (2R)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]propanoic acid Openeye Name: (2R)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]propanoic acid CAS Name: (2R)-2-[[[3-(3-ethyl-1-methyl-3-azepanyl)phenoxy]-oxomethyl]amino]propanoic acid IUPAC Name: (2R)-2-[[3-(3-ethyl-1-methylazepan-3-yl)phenoxy]carbonylamino]propanoic acid Traditional Name: (2R)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]propionic acid Formula: C19H28N2O4 MolecularWeight: 348.43662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1)C)C2=CC(=CC=C2)OC(=O)NC(C)C(=O)O

Isomeric SMILES

CCC1(CCCCN(C1)C)C2=CC(=CC=C2)OC(=O)N[C@H](C)C(=O)O

InChI

InChI=1S/C19H28N2O4/c1-4-19(10-5-6-11-21(3)13-19)15-8-7-9-16(12-15)25-18(24)20-14(2)17(22)23/h7-9,12,14H,4-6,10-11,13H2,1-3H3,(H,20,24)(H,22,23)/t14-,19?/m1/s1