[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] (5S,7R)-3-phenyladamantane-1-carboxylate

Systemtic Name: [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] (5S,7R)-3-phenyladamantane-1-carboxylate Openeye Name: [(1S)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] (5S,7R)-3-phenyladamantane-1-carboxylate CAS Name: (5S,7R)-3-phenyl-1-adamantanecarboxylic acid [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (5S,7R)-3-phenyladamantane-1-carboxylate Traditional Name: (5S,7R)-3-phenyladamantane-1-carboxylic acid [(1S)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C29H31NO3 MolecularWeight: 441.56134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)C34CC5CC(C3)CC(C5)(C4)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)OC(=O)C34C[C@@H]5C[C@H](C3)CC(C5)(C4)C6=CC=CC=C6

InChI

InChI=1S/C29H31NO3/c1-18-25(23-10-6-7-11-24(23)30-18)26(31)19(2)33-27(32)29-15-20-12-21(16-29)14-28(13-20,17-29)22-8-4-3-5-9-22/h3-11,19-21,30H,12-17H2,1-2H3/t19-,20-,21+,28?,29?/m0/s1