[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-ethoxy-4-methoxy-benzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-ethoxy-4-methoxy-benzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 3-ethoxy-4-methoxy-benzoate CAS Name: 3-ethoxy-4-methoxybenzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate Traditional Name: 3-ethoxy-4-methoxy-benzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C23H31NO5 MolecularWeight: 401.49594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)OC

InChI

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