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

Systemtic Name: (2R)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]butanoic acid Openeye Name: (2R)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]butanoic acid CAS Name: (2R)-2-[[[3-(3-ethyl-1-methyl-3-azepanyl)phenoxy]-oxomethyl]amino]butanoic acid IUPAC Name: (2R)-2-[[3-(3-ethyl-1-methylazepan-3-yl)phenoxy]carbonylamino]butanoic acid Traditional Name: (2R)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]butyric acid Formula: C20H30N2O4 MolecularWeight: 362.4632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)OC1=CC=CC(=C1)C2(CCCCN(C2)C)CC

Isomeric SMILES

CC[C@H](C(=O)O)NC(=O)OC1=CC=CC(=C1)C2(CCCCN(C2)C)CC

InChI

InChI=1S/C20H30N2O4/c1-4-17(18(23)24)21-19(25)26-16-10-8-9-15(13-16)20(5-2)11-6-7-12-22(3)14-20/h8-10,13,17H,4-7,11-12,14H2,1-3H3,(H,21,25)(H,23,24)/t17-,20?/m1/s1