methyl 5-[3-[3,5-bis(azanyl)-5-oxidanylidene-pentoxy]phenyl]pyridine-3-carboxylate

Systemtic Name: methyl 5-[3-[3,5-bis(azanyl)-5-oxidanylidene-pentoxy]phenyl]pyridine-3-carboxylate Openeye Name: methyl 5-[3-(3,5-diamino-5-oxo-pentoxy)phenyl]pyridine-3-carboxylate CAS Name: 5-[3-(3,5-diamino-5-oxopentoxy)phenyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-(3,5-diamino-5-oxopentoxy)phenyl]pyridine-3-carboxylate Traditional Name: 5-[3-(3,5-diamino-5-keto-pentoxy)phenyl]nicotinic acid methyl ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=CC(=C1)C2=CC(=CC=C2)OCCC(CC(=O)N)N

Isomeric SMILES

COC(=O)C1=CN=CC(=C1)C2=CC(=CC=C2)OCCC(CC(=O)N)N

InChI

InChI=1S/C18H21N3O4/c1-24-18(23)14-7-13(10-21-11-14)12-3-2-4-16(8-12)25-6-5-15(19)9-17(20)22/h2-4,7-8,10-11,15H,5-6,9,19H2,1H3,(H2,20,22)