methyl 2-(1-adamantylamino)-3,3,3-triphenyl-propanoate

Systemtic Name: methyl 2-(1-adamantylamino)-3,3,3-triphenyl-propanoate Openeye Name: methyl 2-(1-adamantylamino)-3,3,3-triphenyl-propanoate CAS Name: 2-(1-adamantylamino)-3,3,3-triphenylpropanoic acid methyl ester IUPAC Name: methyl 2-(1-adamantylamino)-3,3,3-triphenylpropanoate Traditional Name: 2-(1-adamantylamino)-3,3,3-triphenyl-propionic acid methyl ester Formula: C32H35NO2 MolecularWeight: 465.6258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)C(C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C32H35NO2/c1-35-30(34)29(33-31-20-23-17-24(21-31)19-25(18-23)22-31)32(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-16,23-25,29,33H,17-22H2,1H3