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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO5/c1-3-28-19-5-4-18(9-20(19)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)