[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoate

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoate CAS Name: 3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoate Traditional Name: 3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=C(C(=CC(=C1)C(=O)OC(C)C(=O)N2CCCCCC2)OC)OC

Isomeric SMILES

C/C=C/C1=C(C(=CC(=C1)C(=O)O[C@H](C)C(=O)N2CCCCCC2)OC)OC

InChI

InChI=1S/C21H29NO5/c1-5-10-16-13-17(14-18(25-3)19(16)26-4)21(24)27-15(2)20(23)22-11-8-6-7-9-12-22/h5,10,13-15H,6-9,11-12H2,1-4H3/b10-5+/t15-/m1/s1