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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate CAS Name: 2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate Traditional Name: 2-[(3,4,5-trimethoxybenzoyl)amino]acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C24H32N2O7 MolecularWeight: 460.52008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H32N2O7/c1-30-18-7-17(8-19(31-2)22(18)32-3)23(29)25-12-21(28)33-13-20(27)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,25,29)(H,26,27)