[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4-oxidanylidenepentanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4-oxidanylidenepentanoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OCC(=O)NCC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CC(=O)CCC(=O)OCC(=O)NCC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C16H21NO6/c1-11(18)4-7-16(20)23-10-15(19)17-9-12-5-6-13(21-2)14(8-12)22-3/h5-6,8H,4,7,9-10H2,1-3H3,(H,17,19)