ethyl 3-[3-[3,5-bis(azanyl)-5-oxidanylidene-pentoxy]phenyl]carbonylpyridine-2-carboxylate

Systemtic Name: ethyl 3-[3-[3,5-bis(azanyl)-5-oxidanylidene-pentoxy]phenyl]carbonylpyridine-2-carboxylate Openeye Name: ethyl 3-[3-(3,5-diamino-5-oxo-pentoxy)benzoyl]pyridine-2-carboxylate CAS Name: 3-[[3-(3,5-diamino-5-oxopentoxy)phenyl]-oxomethyl]-2-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(3,5-diamino-5-oxopentoxy)benzoyl]pyridine-2-carboxylate Traditional Name: 3-[3-(3,5-diamino-5-keto-pentoxy)benzoyl]picolinic acid ethyl ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC=N1)C(=O)C2=CC(=CC=C2)OCCC(CC(=O)N)N

Isomeric SMILES

CCOC(=O)C1=C(C=CC=N1)C(=O)C2=CC(=CC=C2)OCCC(CC(=O)N)N

InChI

InChI=1S/C20H23N3O5/c1-2-27-20(26)18-16(7-4-9-23-18)19(25)13-5-3-6-15(11-13)28-10-8-14(21)12-17(22)24/h3-7,9,11,14H,2,8,10,12,21H2,1H3,(H2,22,24)