4-azanyl-3-methyl-2-(3,4,5-triethoxyphenyl)carbonyl-butanoic acid

Systemtic Name: 4-azanyl-3-methyl-2-(3,4,5-triethoxyphenyl)carbonyl-butanoic acid Openeye Name: 4-amino-3-methyl-2-(3,4,5-triethoxybenzoyl)butanoic acid CAS Name: 4-amino-3-methyl-2-[oxo-(3,4,5-triethoxyphenyl)methyl]butanoic acid IUPAC Name: 4-amino-3-methyl-2-(3,4,5-triethoxybenzoyl)butanoic acid Traditional Name: 4-amino-3-methyl-2-(3,4,5-triethoxybenzoyl)butyric acid Formula: C18H27NO6 MolecularWeight: 353.41008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)C(C(C)CN)C(=O)O

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)C(C(C)CN)C(=O)O

InChI

InChI=1S/C18H27NO6/c1-5-23-13-8-12(9-14(24-6-2)17(13)25-7-3)16(20)15(18(21)22)11(4)10-19/h8-9,11,15H,5-7,10,19H2,1-4H3,(H,21,22)