[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C27H35NO4 MolecularWeight: 437.5711

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H35NO4/c29-24(23-8-6-22(7-9-23)21-4-2-1-3-5-21)17-32-25(30)16-28-26(31)27-13-18-10-19(14-27)12-20(11-18)15-27/h6-9,18-21H,1-5,10-17H2,(H,28,31)