ethyl 2-[2-(1-adamantylcarbonylamino)ethanoyloxymethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[2-(1-adamantylcarbonylamino)ethanoyloxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[[2-(adamantane-1-carbonylamino)acetyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[2-[[1-adamantyl(oxo)methyl]amino]-1-oxoethoxy]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(adamantane-1-carbonylamino)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[2-(adamantane-1-carbonylamino)acetyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C27H32N2O5 MolecularWeight: 464.55338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C27H32N2O5/c1-3-33-25(31)24-16(2)20-6-4-5-7-21(20)29-22(24)15-34-23(30)14-28-26(32)27-11-17-8-18(12-27)10-19(9-17)13-27/h4-7,17-19H,3,8-15H2,1-2H3,(H,28,32)