methyl 1-[3-(1-adamantylcarbonylamino)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylate

Systemtic Name: methyl 1-[3-(1-adamantylcarbonylamino)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylate Openeye Name: methyl 1-[3-(adamantane-1-carbonylamino)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylate CAS Name: 1-[3-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 1-[3-(adamantane-1-carbonylamino)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylate Traditional Name: 1-[3-(adamantane-1-carbonylamino)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid methyl ester Formula: C25H32N2O4 MolecularWeight: 424.53258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCCN(C2=CC=C1)C(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=C2CCCN(C2=CC=C1)C(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H32N2O4/c1-31-23(29)20-4-2-6-21-19(20)5-3-9-27(21)22(28)7-8-26-24(30)25-13-16-10-17(14-25)12-18(11-16)15-25/h2,4,6,16-18H,3,5,7-15H2,1H3,(H,26,30)