methyl 2-[(1-adamantylamino)methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[(1-adamantylamino)methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(1-adamantylamino)methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[(1-adamantylamino)methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1-adamantylamino)methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[(1-adamantylamino)methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C23H28N2O2 MolecularWeight: 364.48062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CNC34CC5CC(C3)CC(C5)C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CNC34CC5CC(C3)CC(C5)C4)C(=O)OC

InChI

InChI=1S/C23H28N2O2/c1-14-18-5-3-4-6-19(18)25-20(21(14)22(26)27-2)13-24-23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,15-17,24H,7-13H2,1-2H3