3-[[3,3-diethyl-2-[4-(4-methylpiperazin-1-yl)carbonylphenoxy]-4-oxidanylidene-azetidin-1-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[3,3-diethyl-2-[4-(4-methylpiperazin-1-yl)carbonylphenoxy]-4-oxidanylidene-azetidin-1-yl]carbonylamino]propanoic acid Openeye Name: 3-[[3,3-diethyl-2-[4-(4-methylpiperazine-1-carbonyl)phenoxy]-4-oxo-azetidine-1-carbonyl]amino]propanoic acid CAS Name: 3-[[[3,3-diethyl-2-[4-[(4-methyl-1-piperazinyl)-oxomethyl]phenoxy]-4-oxo-1-azetidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[3,3-diethyl-2-[4-(4-methylpiperazine-1-carbonyl)phenoxy]-4-oxoazetidine-1-carbonyl]amino]propanoic acid Traditional Name: 3-[[3,3-diethyl-2-keto-4-[4-(4-methylpiperazine-1-carbonyl)phenoxy]azetidine-1-carbonyl]amino]propionic acid Formula: C23H32N4O6 MolecularWeight: 460.52338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(N(C1=O)C(=O)NCCC(=O)O)OC2=CC=C(C=C2)C(=O)N3CCN(CC3)C)CC

Isomeric SMILES

CCC1(C(N(C1=O)C(=O)NCCC(=O)O)OC2=CC=C(C=C2)C(=O)N3CCN(CC3)C)CC

InChI

InChI=1S/C23H32N4O6/c1-4-23(5-2)20(31)27(22(32)24-11-10-18(28)29)21(23)33-17-8-6-16(7-9-17)19(30)26-14-12-25(3)13-15-26/h6-9,21H,4-5,10-15H2,1-3H3,(H,24,32)(H,28,29)