4-[[5-[ethyl-(phenylmethyl)amino]pyridin-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[5-[ethyl-(phenylmethyl)amino]pyridin-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[5-[benzyl(ethyl)amino]-2-pyridyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[5-[ethyl-(phenylmethyl)amino]-2-pyridinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[5-[benzyl(ethyl)amino]pyridin-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[5-[benzyl(ethyl)amino]-2-pyridyl]amino]-4-keto-butyric acid Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=CN=C(C=C2)NC(=O)CCC(=O)O

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=CN=C(C=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C18H21N3O3/c1-2-21(13-14-6-4-3-5-7-14)15-8-9-16(19-12-15)20-17(22)10-11-18(23)24/h3-9,12H,2,10-11,13H2,1H3,(H,23,24)(H,19,20,22)