2-[3-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-8-methyl-2-oxidanylidene-azocan-1-yl]propanoic acid

Systemtic Name: 2-[3-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-8-methyl-2-oxidanylidene-azocan-1-yl]propanoic acid Openeye Name: 2-[3-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-8-methyl-2-oxo-azocan-1-yl]propanoic acid CAS Name: 2-[3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-8-methyl-2-oxo-1-azocanyl]propanoic acid IUPAC Name: 2-[3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-8-methyl-2-oxoazocan-1-yl]propanoic acid Traditional Name: 2-[3-[(1-carbethoxy-3-phenyl-propyl)amino]-2-keto-8-methyl-azocan-1-yl]propionic acid Formula: C23H34N2O5 MolecularWeight: 418.52646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CCCCC(N(C2=O)C(C)C(=O)O)C

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CCCCC(N(C2=O)C(C)C(=O)O)C

InChI

InChI=1S/C23H34N2O5/c1-4-30-23(29)20(15-14-18-11-6-5-7-12-18)24-19-13-9-8-10-16(2)25(21(19)26)17(3)22(27)28/h5-7,11-12,16-17,19-20,24H,4,8-10,13-15H2,1-3H3,(H,27,28)