[2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)O)C)C

Isomeric SMILES

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)O)C)C

InChI

InChI=1S/C25H31NO4/c1-23(2)19-6-4-5-7-20(19)26(3)21(23)9-18(27)14-30-22(28)24-10-16-8-17(11-24)13-25(29,12-16)15-24/h4-7,9,16-17,29H,8,10-15H2,1-3H3