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

Systemtic Name: 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl-(4-methylpiperazin-1-yl)amino]ethanoic acid Openeye Name: 2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl-(4-methylpiperazin-1-yl)amino]acetic acid CAS Name: 2-[[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-(4-methyl-1-piperazinyl)amino]acetic acid IUPAC Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl-(4-methylpiperazin-1-yl)amino]acetic acid Traditional Name: 2-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl-(4-methylpiperazino)amino]acetic acid Formula: C22H34N4O5 MolecularWeight: 434.52916

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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)N2CCN(CC2)C

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N(CC(=O)O)N2CCN(CC2)C

InChI

InChI=1S/C22H34N4O5/c1-4-31-22(30)19(11-10-18-8-6-5-7-9-18)23-17(2)21(29)26(16-20(27)28)25-14-12-24(3)13-15-25/h5-9,17,19,23H,4,10-16H2,1-3H3,(H,27,28)