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

Systemtic Name: [(4-methoxyphenyl)methylamino] 3-(1-adamantyl)benzoate Openeye Name: [(4-methoxyphenyl)methylamino] 3-(1-adamantyl)benzoate CAS Name: 3-(1-adamantyl)benzoic acid [(4-methoxyphenyl)methylamino] ester IUPAC Name: [(4-methoxyphenyl)methylamino] 3-(1-adamantyl)benzoate Traditional Name: 3-(1-adamantyl)benzoic acid (p-anisylamino) ester Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO3/c1-28-23-7-5-17(6-8-23)16-26-29-24(27)21-3-2-4-22(12-21)25-13-18-9-19(14-25)11-20(10-18)15-25/h2-8,12,18-20,26H,9-11,13-16H2,1H3