methyl 2-[3-[(1-adamantylamino)methyl]-7-chloranyl-2-oxidanylidene-quinolin-1-yl]ethanoate

Systemtic Name: methyl 2-[3-[(1-adamantylamino)methyl]-7-chloranyl-2-oxidanylidene-quinolin-1-yl]ethanoate Openeye Name: methyl 2-[3-[(1-adamantylamino)methyl]-7-chloro-2-oxo-1-quinolyl]acetate CAS Name: 2-[3-[(1-adamantylamino)methyl]-7-chloro-2-oxo-1-quinolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(1-adamantylamino)methyl]-7-chloro-2-oxoquinolin-1-yl]acetate Traditional Name: 2-[3-[(1-adamantylamino)methyl]-7-chloro-2-keto-1-quinolyl]acetic acid methyl ester Formula: C23H27ClN2O3 MolecularWeight: 414.92508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC(=C2)Cl)C=C(C1=O)CNC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)CN1C2=C(C=CC(=C2)Cl)C=C(C1=O)CNC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H27ClN2O3/c1-29-21(27)13-26-20-8-19(24)3-2-17(20)7-18(22(26)28)12-25-23-9-14-4-15(10-23)6-16(5-14)11-23/h2-3,7-8,14-16,25H,4-6,9-13H2,1H3