3-[4-[2-(heptan-2-ylamino)-2-oxidanylidene-ethoxy]phenyl]-2-methoxy-propanoic acid

Systemtic Name: 3-[4-[2-(heptan-2-ylamino)-2-oxidanylidene-ethoxy]phenyl]-2-methoxy-propanoic acid Openeye Name: 2-methoxy-3-[4-[2-(1-methylhexylamino)-2-oxo-ethoxy]phenyl]propanoic acid CAS Name: 3-[4-[2-(heptan-2-ylamino)-2-oxoethoxy]phenyl]-2-methoxypropanoic acid IUPAC Name: 3-[4-[2-(heptan-2-ylamino)-2-oxoethoxy]phenyl]-2-methoxypropanoic acid Traditional Name: 3-[4-[2-keto-2-(1-methylhexylamino)ethoxy]phenyl]-2-methoxy-propionic acid Formula: C19H29NO5 MolecularWeight: 351.43726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)COC1=CC=C(C=C1)CC(C(=O)O)OC

Isomeric SMILES

CCCCCC(C)NC(=O)COC1=CC=C(C=C1)CC(C(=O)O)OC

InChI

InChI=1S/C19H29NO5/c1-4-5-6-7-14(2)20-18(21)13-25-16-10-8-15(9-11-16)12-17(24-3)19(22)23/h8-11,14,17H,4-7,12-13H2,1-3H3,(H,20,21)(H,22,23)