[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-propoxybenzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-propoxybenzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

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