[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C25H34ClNO5 MolecularWeight: 463.99416

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)OCC

InChI

InChI=1S/C25H34ClNO5/c1-3-5-31-23-20(26)9-19(10-21(23)30-4-2)24(29)32-14-22(28)27-15-25-11-16-6-17(12-25)8-18(7-16)13-25/h9-10,16-18H,3-8,11-15H2,1-2H3,(H,27,28)