2-[1-adamantylmethyl-(3,4,5-trimethoxyphenyl)carbonyl-amino]ethyl 3,4,5-trimethoxybenzoate

Systemtic Name: 2-[1-adamantylmethyl-(3,4,5-trimethoxyphenyl)carbonyl-amino]ethyl 3,4,5-trimethoxybenzoate Openeye Name: 2-[1-adamantylmethyl-(3,4,5-trimethoxybenzoyl)amino]ethyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 2-[1-adamantylmethyl-[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]ethyl ester IUPAC Name: 2-[1-adamantylmethyl-(3,4,5-trimethoxybenzoyl)amino]ethyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid 2-[1-adamantylmethyl-(3,4,5-trimethoxybenzoyl)amino]ethyl ester Formula: C33H43NO9 MolecularWeight: 597.69582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N(CCOC(=O)C2=CC(=C(C(=C2)OC)OC)OC)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N(CCOC(=O)C2=CC(=C(C(=C2)OC)OC)OC)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C33H43NO9/c1-37-25-12-23(13-26(38-2)29(25)41-5)31(35)34(19-33-16-20-9-21(17-33)11-22(10-20)18-33)7-8-43-32(36)24-14-27(39-3)30(42-6)28(15-24)40-4/h12-15,20-22H,7-11,16-19H2,1-6H3