[4-(1-adamantyliminomethyl)phenyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [4-(1-adamantyliminomethyl)phenyl] 3,4,5-trimethoxybenzoate Openeye Name: [4-(1-adamantyliminomethyl)phenyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-(1-adamantyliminomethyl)phenyl] ester IUPAC Name: [4-(1-adamantyliminomethyl)phenyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [4-(1-adamantyliminomethyl)phenyl] ester Formula: C27H31NO5 MolecularWeight: 449.53874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=C(C=C2)C=NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=C(C=C2)C=NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H31NO5/c1-30-23-11-21(12-24(31-2)25(23)32-3)26(29)33-22-6-4-17(5-7-22)16-28-27-13-18-8-19(14-27)10-20(9-18)15-27/h4-7,11-12,16,18-20H,8-10,13-15H2,1-3H3