(pyridin-3-ylamino) 4-oxidanylidene-2,2,3,3,4-pentakis(pyridin-3-ylamino)butanoate

Systemtic Name: (pyridin-3-ylamino) 4-oxidanylidene-2,2,3,3,4-pentakis(pyridin-3-ylamino)butanoate Openeye Name: (3-pyridylamino) 4-oxo-2,2,3,3,4-pentakis(3-pyridylamino)butanoate CAS Name: 4-oxo-2,2,3,3,4-pentakis(3-pyridinylamino)butanoic acid (3-pyridinylamino) ester IUPAC Name: (pyridin-3-ylamino) 4-oxo-2,2,3,3,4-pentakis(pyridin-3-ylamino)butanoate Traditional Name: 4-keto-2,2,3,3,4-pentakis(3-pyridylamino)butyric acid (3-pyridylamino) ester Formula: C34H30N12O3 MolecularWeight: 654.6806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)NC(=O)C(C(C(=O)ONC2=CN=CC=C2)(NC3=CN=CC=C3)NC4=CN=CC=C4)(NC5=CN=CC=C5)NC6=CN=CC=C6

Isomeric SMILES

C1=CC(=CN=C1)NC(=O)C(C(C(=O)ONC2=CN=CC=C2)(NC3=CN=CC=C3)NC4=CN=CC=C4)(NC5=CN=CC=C5)NC6=CN=CC=C6

InChI

InChI=1S/C34H30N12O3/c47-31(41-25-7-1-13-35-19-25)33(42-26-8-2-14-36-20-26,43-27-9-3-15-37-21-27)34(44-28-10-4-16-38-22-28,45-29-11-5-17-39-23-29)32(48)49-46-30-12-6-18-40-24-30/h1-24,42-46H,(H,41,47)