1-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]azocane-2-carboxylic acid

Systemtic Name: 1-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]azocane-2-carboxylic acid Openeye Name: 1-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]azocane-2-carboxylic acid CAS Name: 1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-2-azocanecarboxylic acid IUPAC Name: 1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]azocane-2-carboxylic acid Traditional Name: 1-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]azocane-2-carboxylic acid Formula: C23H34N2O5 MolecularWeight: 418.52646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCCCCC2C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCCCCC2C(=O)O

InChI

InChI=1S/C23H34N2O5/c1-3-30-23(29)19(15-14-18-11-7-6-8-12-18)24-17(2)21(26)25-16-10-5-4-9-13-20(25)22(27)28/h6-8,11-12,17,19-20,24H,3-5,9-10,13-16H2,1-2H3,(H,27,28)