[2-[(9-ethylcarbazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxo-ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [2-[(9-ethyl-3-carbazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-[(9-ethylcarbazol-3-yl)amino]-2-keto-ethyl] ester Formula: C27H29BrN2O3 MolecularWeight: 509.43476

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)Br)C6=CC=CC=C61

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)Br)C6=CC=CC=C61

InChI

InChI=1S/C27H29BrN2O3/c1-2-30-22-6-4-3-5-20(22)21-10-19(7-8-23(21)30)29-24(31)15-33-25(32)26-11-17-9-18(12-26)14-27(28,13-17)16-26/h3-8,10,17-18H,2,9,11-16H2,1H3,(H,29,31)