4-[[[(2S)-2-(1,3-benzodioxol-5-yloxy)butanoyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[(2S)-2-(1,3-benzodioxol-5-yloxy)butanoyl]amino]methyl]benzoic acid Openeye Name: 4-[[[(2S)-2-(1,3-benzodioxol-5-yloxy)butanoyl]amino]methyl]benzoic acid CAS Name: 4-[[[(2S)-2-(1,3-benzodioxol-5-yloxy)-1-oxobutyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[(2S)-2-(1,3-benzodioxol-5-yloxy)butanoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[(2S)-2-(1,3-benzodioxol-5-yloxy)butanoyl]amino]methyl]benzoic acid Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=C(C=C1)C(=O)O)OC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC[C@@H](C(=O)NCC1=CC=C(C=C1)C(=O)O)OC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H19NO6/c1-2-15(26-14-7-8-16-17(9-14)25-11-24-16)18(21)20-10-12-3-5-13(6-4-12)19(22)23/h3-9,15H,2,10-11H2,1H3,(H,20,21)(H,22,23)/t15-/m0/s1