pyridin-3-yl 2-azanyl-2-[azanyl(phenyl)methyl]-3,6-bis(oxidanylidene)hexanoate

Systemtic Name: pyridin-3-yl 2-azanyl-2-[azanyl(phenyl)methyl]-3,6-bis(oxidanylidene)hexanoate Openeye Name: 3-pyridyl 2-amino-2-[amino(phenyl)methyl]-3,6-dioxo-hexanoate CAS Name: 2-amino-2-[amino(phenyl)methyl]-3,6-dioxohexanoic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 2-amino-2-[amino(phenyl)methyl]-3,6-dioxohexanoate Traditional Name: 2-amino-2-[amino(phenyl)methyl]-3,6-diketo-hexanoic acid 3-pyridyl ester Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C(=O)CCC=O)(C(=O)OC2=CN=CC=C2)N)N

Isomeric SMILES

C1=CC=C(C=C1)C(C(C(=O)CCC=O)(C(=O)OC2=CN=CC=C2)N)N

InChI

InChI=1S/C18H19N3O4/c19-16(13-6-2-1-3-7-13)18(20,15(23)9-5-11-22)17(24)25-14-8-4-10-21-12-14/h1-4,6-8,10-12,16H,5,9,19-20H2