[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-methoxy-4-propan-2-yloxy-benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-methoxy-4-propan-2-yloxy-benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-isopropoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-propan-2-yloxybenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxy-3-methoxy-benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H31NO5 MolecularWeight: 401.49594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C23H31NO5/c1-14(2)29-19-5-4-18(9-20(19)27-3)22(26)28-13-21(25)24-23-10-15-6-16(11-23)8-17(7-15)12-23/h4-5,9,14-17H,6-8,10-13H2,1-3H3,(H,24,25)