[(8-oxidanylidene-8-phenylazanyl-octanoyl)amino] pyridine-3-carboxylate

Systemtic Name: [(8-oxidanylidene-8-phenylazanyl-octanoyl)amino] pyridine-3-carboxylate Openeye Name: [(8-anilino-8-oxo-octanoyl)amino] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [(8-anilino-1,8-dioxooctyl)amino] ester IUPAC Name: [(8-anilino-8-oxooctanoyl)amino] pyridine-3-carboxylate Traditional Name: nicotinic acid [(8-anilino-8-keto-octanoyl)amino] ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NOC(=O)C2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NOC(=O)C2=CN=CC=C2

InChI

InChI=1S/C20H23N3O4/c24-18(22-17-10-4-3-5-11-17)12-6-1-2-7-13-19(25)23-27-20(26)16-9-8-14-21-15-16/h3-5,8-11,14-15H,1-2,6-7,12-13H2,(H,22,24)(H,23,25)