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

Systemtic Name: 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl-piperidin-1-yl-amino]ethanoic acid Openeye Name: 2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl-(1-piperidyl)amino]acetic acid CAS Name: 2-[[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-(1-piperidinyl)amino]acetic acid IUPAC Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl-piperidin-1-ylamino]acetic acid Traditional Name: 2-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl-piperidino-amino]acetic acid Formula: C22H33N3O5 MolecularWeight: 419.51452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N(CC(=O)O)N2CCCCC2

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N(CC(=O)O)N2CCCCC2

InChI

InChI=1S/C22H33N3O5/c1-3-30-22(29)19(13-12-18-10-6-4-7-11-18)23-17(2)21(28)25(16-20(26)27)24-14-8-5-9-15-24/h4,6-7,10-11,17,19,23H,3,5,8-9,12-16H2,1-2H3,(H,26,27)