(2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methyl-butanoic acid; 2-methylpropan-2-amine

Systemtic Name: (2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methyl-butanoic acid; 2-methylpropan-2-amine Openeye Name: (2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methyl-butanoic acid; 2-methylpropan-2-amine CAS Name: (2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutanoic acid; 2-methyl-2-propanamine IUPAC Name: (2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutanoic acid; 2-methylpropan-2-amine Traditional Name: tert-butylamine; (2S)-2-[4-methoxy-3-(3-methoxypropoxy)benzyl]-3-methyl-butyric acid Formula: C21H37NO5 MolecularWeight: 383.52218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)C(=O)O.CC(C)(C)N

Isomeric SMILES

CC(C)[C@H](CC1=CC(=C(C=C1)OC)OCCCOC)C(=O)O.CC(C)(C)N

InChI

InChI=1S/C17H26O5.C4H11N/c1-12(2)14(17(18)19)10-13-6-7-15(21-4)16(11-13)22-9-5-8-20-3;1-4(2,3)5/h6-7,11-12,14H,5,8-10H2,1-4H3,(H,18,19);5H2,1-3H3/t14-;/m0./s1