2-[4-(3-cyano-2-methyl-heptan-3-yl)phenoxy]-2-methoxy-ethanoic acid; 2-(3,4-dimethoxyphenyl)ethanamine

Systemtic Name: 2-[4-(3-cyano-2-methyl-heptan-3-yl)phenoxy]-2-methoxy-ethanoic acid; 2-(3,4-dimethoxyphenyl)ethanamine Openeye Name: 2-[4-(1-cyano-1-isopropyl-pentyl)phenoxy]-2-methoxy-acetic acid; 2-(3,4-dimethoxyphenyl)ethanamine CAS Name: 2-[4-(3-cyano-2-methylheptan-3-yl)phenoxy]-2-methoxyacetic acid; 2-(3,4-dimethoxyphenyl)ethanamine IUPAC Name: 2-[4-(3-cyano-2-methylheptan-3-yl)phenoxy]-2-methoxyacetic acid; 2-(3,4-dimethoxyphenyl)ethanamine Traditional Name: 2-[4-(1-cyano-1-isopropyl-pentyl)phenoxy]-2-methoxy-acetic acid; homoveratrylamine Formula: C28H40N2O6 MolecularWeight: 500.627

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C#N)(C1=CC=C(C=C1)OC(C(=O)O)OC)C(C)C.COC1=C(C=C(C=C1)CCN)OC

Isomeric SMILES

CCCCC(C#N)(C1=CC=C(C=C1)OC(C(=O)O)OC)C(C)C.COC1=C(C=C(C=C1)CCN)OC

InChI

InChI=1S/C18H25NO4.C10H15NO2/c1-5-6-11-18(12-19,13(2)3)14-7-9-15(10-8-14)23-17(22-4)16(20)21;1-12-9-4-3-8(5-6-11)7-10(9)13-2/h7-10,13,17H,5-6,11H2,1-4H3,(H,20,21);3-4,7H,5-6,11H2,1-2H3