[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] (5S,7R)-3-phenyladamantane-1-carboxylate

Systemtic Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] (5S,7R)-3-phenyladamantane-1-carboxylate Openeye Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxo-ethyl] (5S,7R)-3-phenyladamantane-1-carboxylate CAS Name: (5S,7R)-3-phenyl-1-adamantanecarboxylic acid [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] (5S,7R)-3-phenyladamantane-1-carboxylate Traditional Name: (5S,7R)-3-phenyladamantane-1-carboxylic acid [2-[[(1R)-1-cyclopropylethyl]amino]-2-keto-ethyl] ester Formula: C24H31NO3 MolecularWeight: 381.50784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5

Isomeric SMILES

C[C@H](C1CC1)NC(=O)COC(=O)C23C[C@@H]4C[C@H](C2)CC(C4)(C3)C5=CC=CC=C5

InChI

InChI=1S/C24H31NO3/c1-16(19-7-8-19)25-21(26)14-28-22(27)24-12-17-9-18(13-24)11-23(10-17,15-24)20-5-3-2-4-6-20/h2-6,16-19H,7-15H2,1H3,(H,25,26)/t16-,17-,18+,23?,24?/m1/s1