2-[(3,4,5-triethoxyphenyl)carbonylamino]butanedioic acid

Systemtic Name: 2-[(3,4,5-triethoxyphenyl)carbonylamino]butanedioic acid Openeye Name: 2-[(3,4,5-triethoxybenzoyl)amino]butanedioic acid CAS Name: 2-[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]butanedioic acid IUPAC Name: 2-[(3,4,5-triethoxybenzoyl)amino]butanedioic acid Traditional Name: 2-[(3,4,5-triethoxybenzoyl)amino]succinic acid Formula: C17H23NO8 MolecularWeight: 369.36642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO8/c1-4-24-12-7-10(8-13(25-5-2)15(12)26-6-3)16(21)18-11(17(22)23)9-14(19)20/h7-8,11H,4-6,9H2,1-3H3,(H,18,21)(H,19,20)(H,22,23)