[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 7-methoxy-2-methyl-quinoline-3-carboxylate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 7-methoxy-2-methyl-quinoline-3-carboxylate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 7-methoxy-2-methyl-quinoline-3-carboxylate CAS Name: 7-methoxy-2-methyl-3-quinolinecarboxylic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate Traditional Name: 7-methoxy-2-methyl-quinoline-3-carboxylic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=N1)OC)C(=O)OCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)OC)C(=O)OCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H29N3O5/c1-14-20(8-18-3-4-19(32-2)9-21(18)26-14)23(30)33-13-22(29)27-24(31)28-25-10-15-5-16(11-25)7-17(6-15)12-25/h3-4,8-9,15-17H,5-7,10-13H2,1-2H3,(H2,27,28,29,31)