[2-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxo-ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [2-[4-[(4-methoxyanilino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-keto-2-[4-[(4-methoxyphenyl)carbamoyl]anilino]ethyl] ester Formula: C27H29BrN2O5 MolecularWeight: 541.43356

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C27H29BrN2O5/c1-34-22-8-6-21(7-9-22)30-24(32)19-2-4-20(5-3-19)29-23(31)15-35-25(33)26-11-17-10-18(12-26)14-27(28,13-17)16-26/h2-9,17-18H,10-16H2,1H3,(H,29,31)(H,30,32)