[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C29H29NO4 MolecularWeight: 455.54486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29NO4/c1-33-22-8-6-21(7-9-22)26-13-24(23-4-2-3-5-25(23)30-26)28(32)34-17-27(31)29-14-18-10-19(15-29)12-20(11-18)16-29/h2-9,13,18-20H,10-12,14-17H2,1H3