[2-[[2-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-[[2-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-[2-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-keto-2-[2-[(1S)-1-methylpropyl]anilino]ethyl] ester Formula: C23H31NO3 MolecularWeight: 369.49714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)COC(=O)C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C23H31NO3/c1-3-14(2)19-6-4-5-7-20(19)24-21(25)13-27-23(26)22-17-9-15-8-16(11-17)12-18(22)10-15/h4-7,14-18,22H,3,8-13H2,1-2H3,(H,24,25)/t14-,15?,16?,17?,18?,22?/m0/s1