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

Systemtic Name: 4-[3-[(E)-2-aminocarbonyl-1-piperidin-1-yl-hex-1-enyl]pyridin-4-yl]carbonylbenzoic acid Openeye Name: 4-[3-[(E)-2-carbamoyl-1-(1-piperidyl)hex-1-enyl]pyridine-4-carbonyl]benzoic acid CAS Name: 4-[[3-[(E)-2-carbamoyl-1-(1-piperidinyl)hex-1-enyl]-4-pyridinyl]-oxomethyl]benzoic acid IUPAC Name: 4-[3-[(E)-2-carbamoyl-1-piperidin-1-ylhex-1-enyl]pyridine-4-carbonyl]benzoic acid Traditional Name: 4-[3-[(E)-2-carbamoyl-1-piperidino-hex-1-enyl]isonicotinoyl]benzoic acid Formula: C25H29N3O4 MolecularWeight: 435.51546

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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)N3CCCCC3)C(=O)N

Isomeric SMILES

CCCC/C(=C(/C1=C(C=CN=C1)C(=O)C2=CC=C(C=C2)C(=O)O)\N3CCCCC3)/C(=O)N

InChI

InChI=1S/C25H29N3O4/c1-2-3-7-20(24(26)30)22(28-14-5-4-6-15-28)21-16-27-13-12-19(21)23(29)17-8-10-18(11-9-17)25(31)32/h8-13,16H,2-7,14-15H2,1H3,(H2,26,30)(H,31,32)/b22-20+