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

Systemtic Name: 2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]ethanoic acid Openeye Name: 2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]acetic acid CAS Name: 2-[[[3-(3-ethyl-1-methyl-3-azepanyl)phenoxy]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3-(3-ethyl-1-methylazepan-3-yl)phenoxy]carbonylamino]acetic acid Traditional Name: 2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]acetic acid Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4/c1-3-18(9-4-5-10-20(2)13-18)14-7-6-8-15(11-14)24-17(23)19-12-16(21)22/h6-8,11H,3-5,9-10,12-13H2,1-2H3,(H,19,23)(H,21,22)