2-[3-[(1-ethoxy-5-methyl-1-oxidanylidene-hexan-2-yl)amino]-2-oxidanylidene-azepan-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(1-ethoxy-5-methyl-1-oxidanylidene-hexan-2-yl)amino]-2-oxidanylidene-azepan-1-yl]ethanoic acid Openeye Name: 2-[3-[(1-ethoxycarbonyl-4-methyl-pentyl)amino]-2-oxo-azepan-1-yl]acetic acid CAS Name: 2-[3-[(1-ethoxy-5-methyl-1-oxohexan-2-yl)amino]-2-oxo-1-azepanyl]acetic acid IUPAC Name: 2-[3-[(1-ethoxy-5-methyl-1-oxohexan-2-yl)amino]-2-oxoazepan-1-yl]acetic acid Traditional Name: 2-[3-[(1-carbethoxy-4-methyl-pentyl)amino]-2-keto-azepan-1-yl]acetic acid Formula: C17H30N2O5 MolecularWeight: 342.4305

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(C)C)NC1CCCCN(C1=O)CC(=O)O

Isomeric SMILES

CCOC(=O)C(CCC(C)C)NC1CCCCN(C1=O)CC(=O)O

InChI

InChI=1S/C17H30N2O5/c1-4-24-17(23)14(9-8-12(2)3)18-13-7-5-6-10-19(16(13)22)11-15(20)21/h12-14,18H,4-11H2,1-3H3,(H,20,21)