[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C30H31NO5 MolecularWeight: 485.57084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C45CC6CC(C4)CC(C6)C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C45CC6CC(C4)CC(C6)C5)OC

InChI

InChI=1S/C30H31NO5/c1-34-26-8-7-21(12-27(26)35-2)25-13-23(22-5-3-4-6-24(22)31-25)29(33)36-17-28(32)30-14-18-9-19(15-30)11-20(10-18)16-30/h3-8,12-13,18-20H,9-11,14-17H2,1-2H3