5-oxidanylidene-5-[[6-(phenethylamino)pyridin-3-yl]amino]pentanoic acid

Systemtic Name: 5-oxidanylidene-5-[[6-(phenethylamino)pyridin-3-yl]amino]pentanoic acid Openeye Name: 5-oxo-5-[[6-(phenethylamino)-3-pyridyl]amino]pentanoic acid CAS Name: 5-oxo-5-[[6-(phenethylamino)-3-pyridinyl]amino]pentanoic acid IUPAC Name: 5-oxo-5-[[6-(phenethylamino)pyridin-3-yl]amino]pentanoic acid Traditional Name: 5-keto-5-[[6-(phenethylamino)-3-pyridyl]amino]valeric acid Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=C(C=C2)NC(=O)CCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=C(C=C2)NC(=O)CCCC(=O)O

InChI

InChI=1S/C18H21N3O3/c22-17(7-4-8-18(23)24)21-15-9-10-16(20-13-15)19-12-11-14-5-2-1-3-6-14/h1-3,5-6,9-10,13H,4,7-8,11-12H2,(H,19,20)(H,21,22)(H,23,24)