4-[[6-[ethyl-(phenylmethyl)amino]pyridin-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[6-[ethyl-(phenylmethyl)amino]pyridin-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[6-[benzyl(ethyl)amino]-3-pyridyl]amino]-4-oxo-butanoate CAS Name: 4-[[6-[ethyl-(phenylmethyl)amino]-3-pyridinyl]amino]-4-oxobutanoate IUPAC Name: 4-[[6-[benzyl(ethyl)amino]pyridin-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[6-[benzyl(ethyl)amino]-3-pyridyl]amino]-4-keto-butyrate Formula: C18H20N3O3- MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=NC=C(C=C2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=NC=C(C=C2)NC(=O)CCC(=O)[O-]

InChI

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