[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-ethoxybenzoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-ethoxybenzoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)O[C@H](C)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29NO4/c1-3-26-19-6-4-18(5-7-19)21(25)27-14(2)20(24)23-22-11-15-8-16(12-22)10-17(9-15)13-22/h4-7,14-17H,3,8-13H2,1-2H3,(H,23,24)/t14-,15?,16?,17?,22?/m1/s1