[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)ethanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)ethanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-(4-phenylphenyl)acetate CAS Name: 2-(4-phenylphenyl)acetic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-(4-phenylphenyl)acetate Traditional Name: 2-(4-phenylphenyl)acetic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)CC4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)CC4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H31NO3/c29-25(28-18-27-14-20-10-21(15-27)12-22(11-20)16-27)17-31-26(30)13-19-6-8-24(9-7-19)23-4-2-1-3-5-23/h1-9,20-22H,10-18H2,(H,28,29)