[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 3-methoxy-4-phenylmethoxy-benzoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 3-methoxy-4-phenylmethoxy-benzoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 4-benzyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-phenylmethoxybenzoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 3-methoxy-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-3-methoxy-benzoic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C24H29NO5 MolecularWeight: 411.49076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCCCCCC2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCCCCCC2)OCC3=CC=CC=C3

InChI

InChI=1S/C24H29NO5/c1-28-22-16-20(12-13-21(22)29-17-19-10-6-5-7-11-19)24(27)30-18-23(26)25-14-8-3-2-4-9-15-25/h5-7,10-13,16H,2-4,8-9,14-15,17-18H2,1H3