methyl 7-[[3-(pyridin-3-ylcarbonylamino)phenyl]carbonylamino]heptanoate

Systemtic Name: methyl 7-[[3-(pyridin-3-ylcarbonylamino)phenyl]carbonylamino]heptanoate Openeye Name: methyl 7-[[3-(pyridine-3-carbonylamino)benzoyl]amino]heptanoate CAS Name: 7-[[oxo-[3-[[oxo(3-pyridinyl)methyl]amino]phenyl]methyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[3-(pyridine-3-carbonylamino)benzoyl]amino]heptanoate Traditional Name: 7-[(3-nicotinamidobenzoyl)amino]enanthic acid methyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)C1=CC(=CC=C1)NC(=O)C2=CN=CC=C2

Isomeric SMILES

COC(=O)CCCCCCNC(=O)C1=CC(=CC=C1)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C21H25N3O4/c1-28-19(25)11-4-2-3-5-13-23-20(26)16-8-6-10-18(14-16)24-21(27)17-9-7-12-22-15-17/h6-10,12,14-15H,2-5,11,13H2,1H3,(H,23,26)(H,24,27)