6-[[3,3-diethyl-2-[4-(4-methylpiperazin-1-yl)carbonylphenoxy]-4-oxidanylidene-azetidin-1-yl]carbonylamino]hexanoic acid

Systemtic Name: 6-[[3,3-diethyl-2-[4-(4-methylpiperazin-1-yl)carbonylphenoxy]-4-oxidanylidene-azetidin-1-yl]carbonylamino]hexanoic acid Openeye Name: 6-[[3,3-diethyl-2-[4-(4-methylpiperazine-1-carbonyl)phenoxy]-4-oxo-azetidine-1-carbonyl]amino]hexanoic acid CAS Name: 6-[[[3,3-diethyl-2-[4-[(4-methyl-1-piperazinyl)-oxomethyl]phenoxy]-4-oxo-1-azetidinyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[[3,3-diethyl-2-[4-(4-methylpiperazine-1-carbonyl)phenoxy]-4-oxoazetidine-1-carbonyl]amino]hexanoic acid Traditional Name: 6-[[3,3-diethyl-2-keto-4-[4-(4-methylpiperazine-1-carbonyl)phenoxy]azetidine-1-carbonyl]amino]hexanoic acid Formula: C26H38N4O6 MolecularWeight: 502.60312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N4O6/c1-4-26(5-2)23(34)30(25(35)27-14-8-6-7-9-21(31)32)24(26)36-20-12-10-19(11-13-20)22(33)29-17-15-28(3)16-18-29/h10-13,24H,4-9,14-18H2,1-3H3,(H,27,35)(H,31,32)