[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-[[(1S)-1-(benzofuran-2-yl)ethyl]amino]-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-[[(1S)-1-(2-benzofuranyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-[[(1S)-1-(benzofuran-2-yl)ethyl]amino]-2-keto-ethyl] ester Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)NC(=O)COC(=O)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

C[C@@H](C1=CC2=CC=CC=C2O1)NC(=O)COC(=O)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H27NO4/c1-13(20-11-16-4-2-3-5-19(16)28-20)24-21(25)12-27-23(26)22-17-7-14-6-15(9-17)10-18(22)8-14/h2-5,11,13-15,17-18,22H,6-10,12H2,1H3,(H,24,25)/t13-,14?,15?,17?,18?,22?/m0/s1