[(4R)-1-oxidanylidene-1-[(phenylmethyl)amino]nonan-4-yl] 3,5-dimethoxybenzoate

Systemtic Name: [(4R)-1-oxidanylidene-1-[(phenylmethyl)amino]nonan-4-yl] 3,5-dimethoxybenzoate Openeye Name: [(1R)-1-[3-(benzylamino)-3-oxo-propyl]hexyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [(4R)-1-oxo-1-[(phenylmethyl)amino]nonan-4-yl] ester IUPAC Name: [(4R)-1-(benzylamino)-1-oxononan-4-yl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [(1R)-1-[3-(benzylamino)-3-keto-propyl]hexyl] ester Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CCCCC[C@H](CCC(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C25H33NO5/c1-4-5-7-12-21(13-14-24(27)26-18-19-10-8-6-9-11-19)31-25(28)20-15-22(29-2)17-23(16-20)30-3/h6,8-11,15-17,21H,4-5,7,12-14,18H2,1-3H3,(H,26,27)/t21-/m1/s1