[(4-methoxyphenyl)methylamino] 3-(1-adamantyl)-2-(phenylmethyl)benzoate

Systemtic Name: [(4-methoxyphenyl)methylamino] 3-(1-adamantyl)-2-(phenylmethyl)benzoate Openeye Name: [(4-methoxyphenyl)methylamino] 3-(1-adamantyl)-2-benzyl-benzoate CAS Name: 3-(1-adamantyl)-2-(phenylmethyl)benzoic acid [(4-methoxyphenyl)methylamino] ester IUPAC Name: [(4-methoxyphenyl)methylamino] 3-(1-adamantyl)-2-benzylbenzoate Traditional Name: 3-(1-adamantyl)-2-benzyl-benzoic acid (p-anisylamino) ester Formula: C32H35NO3 MolecularWeight: 481.6252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNOC(=O)C2=C(C(=CC=C2)C34CC5CC(C3)CC(C5)C4)CC6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)CNOC(=O)C2=C(C(=CC=C2)C34CC5CC(C3)CC(C5)C4)CC6=CC=CC=C6

InChI

InChI=1S/C32H35NO3/c1-35-27-12-10-23(11-13-27)21-33-36-31(34)28-8-5-9-30(29(28)17-22-6-3-2-4-7-22)32-18-24-14-25(19-32)16-26(15-24)20-32/h2-13,24-26,33H,14-21H2,1H3