4-[[(4-morpholin-4-ylcarbonylpyridin-2-yl)-pentanoyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[(4-morpholin-4-ylcarbonylpyridin-2-yl)-pentanoyl-amino]methyl]benzoic acid Openeye Name: 4-[[[4-(morpholine-4-carbonyl)-2-pyridyl]-pentanoyl-amino]methyl]benzoic acid CAS Name: 4-[[[4-[4-morpholinyl(oxo)methyl]-2-pyridinyl]-(1-oxopentyl)amino]methyl]benzoic acid IUPAC Name: 4-[[[4-(morpholine-4-carbonyl)pyridin-2-yl]-pentanoylamino]methyl]benzoic acid Traditional Name: 4-[[[4-(morpholine-4-carbonyl)-2-pyridyl]-valeryl-amino]methyl]benzoic acid Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)C(=O)O)C2=NC=CC(=C2)C(=O)N3CCOCC3

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C(=O)O)C2=NC=CC(=C2)C(=O)N3CCOCC3

InChI

InChI=1S/C23H27N3O5/c1-2-3-4-21(27)26(16-17-5-7-18(8-6-17)23(29)30)20-15-19(9-10-24-20)22(28)25-11-13-31-14-12-25/h5-10,15H,2-4,11-14,16H2,1H3,(H,29,30)