[2-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [2-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-[4-[(4-methoxyanilino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-keto-2-[4-[(4-methoxyphenyl)carbamoyl]anilino]ethyl] ester Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H30N2O5/c1-33-23-8-6-22(7-9-23)29-25(31)20-2-4-21(5-3-20)28-24(30)16-34-26(32)27-13-17-10-18(14-27)12-19(11-17)15-27/h2-9,17-19H,10-16H2,1H3,(H,28,30)(H,29,31)