[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-propan-2-yloxybenzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-propan-2-yloxybenzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-isopropoxybenzoate CAS Name: 4-propan-2-yloxybenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxybenzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4/c1-14(2)27-19-5-3-18(4-6-19)21(25)26-13-20(24)23-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,14-17H,7-13H2,1-2H3,(H,23,24)