ethyl 2-[(4,4-dimethyl-3-oxidanyl-pentyl)amino]-3-[3-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]propanoate

Systemtic Name: ethyl 2-[(4,4-dimethyl-3-oxidanyl-pentyl)amino]-3-[3-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]propanoate Openeye Name: ethyl 3-[3-(2-ethoxy-2-oxo-ethoxy)phenyl]-2-[(3-hydroxy-4,4-dimethyl-pentyl)amino]propanoate CAS Name: 3-[3-(2-ethoxy-2-oxoethoxy)phenyl]-2-[(3-hydroxy-4,4-dimethylpentyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-(2-ethoxy-2-oxoethoxy)phenyl]-2-[(3-hydroxy-4,4-dimethylpentyl)amino]propanoate Traditional Name: 3-[3-(2-ethoxy-2-keto-ethoxy)phenyl]-2-[(3-hydroxy-4,4-dimethyl-pentyl)amino]propionic acid ethyl ester Formula: C22H35NO6 MolecularWeight: 409.5164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=CC(=C1)CC(C(=O)OCC)NCCC(C(C)(C)C)O

Isomeric SMILES

CCOC(=O)COC1=CC=CC(=C1)CC(C(=O)OCC)NCCC(C(C)(C)C)O

InChI

InChI=1S/C22H35NO6/c1-6-27-20(25)15-29-17-10-8-9-16(13-17)14-18(21(26)28-7-2)23-12-11-19(24)22(3,4)5/h8-10,13,18-19,23-24H,6-7,11-12,14-15H2,1-5H3