2-[3-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-2-oxidanylidene-azocan-1-yl]propanoic acid

Systemtic Name: 2-[3-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-2-oxidanylidene-azocan-1-yl]propanoic acid Openeye Name: 2-[3-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-2-oxo-azocan-1-yl]propanoic acid CAS Name: 2-[3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-oxo-1-azocanyl]propanoic acid IUPAC Name: 2-[3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-oxoazocan-1-yl]propanoic acid Traditional Name: 2-[3-[(1-carbethoxy-3-phenyl-propyl)amino]-2-keto-azocan-1-yl]propionic acid Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CCCCCN(C2=O)C(C)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CCCCCN(C2=O)C(C)C(=O)O

InChI

InChI=1S/C22H32N2O5/c1-3-29-22(28)19(14-13-17-10-6-4-7-11-17)23-18-12-8-5-9-15-24(20(18)25)16(2)21(26)27/h4,6-7,10-11,16,18-19,23H,3,5,8-9,12-15H2,1-2H3,(H,26,27)