(1S,6S)-6-[[(1R)-1-(1-adamantyl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[[(1R)-1-(1-adamantyl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[[(1R)-1-(1-adamantyl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[[(1R)-1-(1-adamantyl)ethyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[[(1R)-1-(1-adamantyl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[[(1R)-1-(1-adamantyl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C20H28NO3- MolecularWeight: 330.44122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4CC=CCC4C(=O)[O-]

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)[C@H]4CC=CC[C@@H]4C(=O)[O-]

InChI

InChI=1S/C20H29NO3/c1-12(20-9-13-6-14(10-20)8-15(7-13)11-20)21-18(22)16-4-2-3-5-17(16)19(23)24/h2-3,12-17H,4-11H2,1H3,(H,21,22)(H,23,24)/p-1/t12-,13?,14?,15?,16+,17+,20?/m1/s1