2-[(1S)-1-[(7-chloranyl-1,8-naphthyridin-2-yl)amino]-6-methyl-3-oxidanylidene-heptyl]benzoate

Systemtic Name: 2-[(1S)-1-[(7-chloranyl-1,8-naphthyridin-2-yl)amino]-6-methyl-3-oxidanylidene-heptyl]benzoate Openeye Name: 2-[(1S)-1-[(7-chloro-1,8-naphthyridin-2-yl)amino]-6-methyl-3-oxo-heptyl]benzoate CAS Name: 2-[(1S)-1-[(7-chloro-1,8-naphthyridin-2-yl)amino]-6-methyl-3-oxoheptyl]benzoate IUPAC Name: 2-[(1S)-1-[(7-chloro-1,8-naphthyridin-2-yl)amino]-6-methyl-3-oxoheptyl]benzoate Traditional Name: 2-[(1S)-1-[(7-chloro-1,8-naphthyridin-2-yl)amino]-3-keto-6-methyl-heptyl]benzoate Formula: C23H23ClN3O3- MolecularWeight: 424.90002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)CC(C1=CC=CC=C1C(=O)[O-])NC2=NC3=C(C=C2)C=CC(=N3)Cl

Isomeric SMILES

CC(C)CCC(=O)C[C@@H](C1=CC=CC=C1C(=O)[O-])NC2=NC3=C(C=C2)C=CC(=N3)Cl

InChI

InChI=1S/C23H24ClN3O3/c1-14(2)7-10-16(28)13-19(17-5-3-4-6-18(17)23(29)30)25-21-12-9-15-8-11-20(24)26-22(15)27-21/h3-6,8-9,11-12,14,19H,7,10,13H2,1-2H3,(H,29,30)(H,25,26,27)/p-1/t19-/m0/s1