diethyl 2-[[[6-[(phenylmethyl)amino]pyridin-3-yl]amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[[6-[(phenylmethyl)amino]pyridin-3-yl]amino]methylidene]propanedioate Openeye Name: diethyl 2-[[[6-(benzylamino)-3-pyridyl]amino]methylene]propanedioate CAS Name: 2-[[[6-[(phenylmethyl)amino]-3-pyridinyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[[6-(benzylamino)pyridin-3-yl]amino]methylidene]propanedioate Traditional Name: 2-[[[6-(benzylamino)-3-pyridyl]amino]methylene]malonic acid diethyl ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CN=C(C=C1)NCC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=CN=C(C=C1)NCC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C20H23N3O4/c1-3-26-19(24)17(20(25)27-4-2)14-21-16-10-11-18(23-13-16)22-12-15-8-6-5-7-9-15/h5-11,13-14,21H,3-4,12H2,1-2H3,(H,22,23)