4-[3-[(E)-2-aminocarbonyl-1-piperazin-1-yl-hex-1-enyl]pyridin-4-yl]carbonylbenzoic acid

Systemtic Name: 4-[3-[(E)-2-aminocarbonyl-1-piperazin-1-yl-hex-1-enyl]pyridin-4-yl]carbonylbenzoic acid Openeye Name: 4-[3-[(E)-2-carbamoyl-1-piperazin-1-yl-hex-1-enyl]pyridine-4-carbonyl]benzoic acid CAS Name: 4-[[3-[(E)-2-carbamoyl-1-(1-piperazinyl)hex-1-enyl]-4-pyridinyl]-oxomethyl]benzoic acid IUPAC Name: 4-[3-[(E)-2-carbamoyl-1-piperazin-1-ylhex-1-enyl]pyridine-4-carbonyl]benzoic acid Traditional Name: 4-[3-[(E)-2-carbamoyl-1-piperazino-hex-1-enyl]isonicotinoyl]benzoic acid Formula: C24H28N4O4 MolecularWeight: 436.50352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C(C1=C(C=CN=C1)C(=O)C2=CC=C(C=C2)C(=O)O)N3CCNCC3)C(=O)N

Isomeric SMILES

CCCC/C(=C(/C1=C(C=CN=C1)C(=O)C2=CC=C(C=C2)C(=O)O)\N3CCNCC3)/C(=O)N

InChI

InChI=1S/C24H28N4O4/c1-2-3-4-19(23(25)30)21(28-13-11-26-12-14-28)20-15-27-10-9-18(20)22(29)16-5-7-17(8-6-16)24(31)32/h5-10,15,26H,2-4,11-14H2,1H3,(H2,25,30)(H,31,32)/b21-19+