5-oxidanylidene-5-[[3-[(E)-4-oxidanylidene-4-(undecan-2-ylamino)but-2-en-2-yl]phenyl]amino]pentanoic acid

Systemtic Name: 5-oxidanylidene-5-[[3-[(E)-4-oxidanylidene-4-(undecan-2-ylamino)but-2-en-2-yl]phenyl]amino]pentanoic acid Openeye Name: 5-[3-[(E)-1-methyl-3-(1-methyldecylamino)-3-oxo-prop-1-enyl]anilino]-5-oxo-pentanoic acid CAS Name: 5-oxo-5-[3-[(E)-4-oxo-4-(undecan-2-ylamino)but-2-en-2-yl]anilino]pentanoic acid IUPAC Name: 5-oxo-5-[3-[(E)-4-oxo-4-(undecan-2-ylamino)but-2-en-2-yl]anilino]pentanoic acid Traditional Name: 5-keto-5-[3-[(E)-3-keto-1-methyl-3-(1-methyldecylamino)prop-1-enyl]anilino]valeric acid Formula: C26H40N2O4 MolecularWeight: 444.6068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C)NC(=O)C=C(C)C1=CC(=CC=C1)NC(=O)CCCC(=O)O

Isomeric SMILES

CCCCCCCCCC(C)NC(=O)/C=C(\C)/C1=CC(=CC=C1)NC(=O)CCCC(=O)O

InChI

InChI=1S/C26H40N2O4/c1-4-5-6-7-8-9-10-13-21(3)27-25(30)18-20(2)22-14-11-15-23(19-22)28-24(29)16-12-17-26(31)32/h11,14-15,18-19,21H,4-10,12-13,16-17H2,1-3H3,(H,27,30)(H,28,29)(H,31,32)/b20-18+