[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-[(2-methylphenyl)methoxy]benzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-[(2-methylphenyl)methoxy]benzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-(o-tolylmethoxy)benzoate CAS Name: 2-[(2-methylphenyl)methoxy]benzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-[(2-methylphenyl)methoxy]benzoate Traditional Name: 2-(2-methylbenzyl)oxybenzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C28H33NO4 MolecularWeight: 447.56592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC2=CC=CC=C2C(=O)OCC(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC=C1COC2=CC=CC=C2C(=O)OCC(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H33NO4/c1-19-6-2-3-7-23(19)16-32-25-9-5-4-8-24(25)27(31)33-17-26(30)29-18-28-13-20-10-21(14-28)12-22(11-20)15-28/h2-9,20-22H,10-18H2,1H3,(H,29,30)