[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate CAS Name: 2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]acetic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate Traditional Name: 2-[(3,4,5-trimethoxybenzoyl)amino]acetic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C24H31NO7 MolecularWeight: 445.50544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H31NO7/c1-29-18-7-17(8-19(30-2)22(18)31-3)23(28)25-12-21(27)32-13-20(26)24-9-14-4-15(10-24)6-16(5-14)11-24/h7-8,14-16H,4-6,9-13H2,1-3H3,(H,25,28)