4-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-1,4-oxazocane-5-carboxylic acid

Systemtic Name: 4-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-1,4-oxazocane-5-carboxylic acid Openeye Name: 4-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-1,4-oxazocane-5-carboxylic acid CAS Name: 4-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-1,4-oxazocane-5-carboxylic acid IUPAC Name: 4-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-1,4-oxazocane-5-carboxylic acid Traditional Name: 4-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]-1,4-oxazocane-5-carboxylic acid Formula: C22H32N2O6 MolecularWeight: 420.49928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCOCCCC2C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCOCCCC2C(=O)O

InChI

InChI=1S/C22H32N2O6/c1-3-30-22(28)18(12-11-17-8-5-4-6-9-17)23-16(2)20(25)24-13-15-29-14-7-10-19(24)21(26)27/h4-6,8-9,16,18-19,23H,3,7,10-15H2,1-2H3,(H,26,27)