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

Systemtic Name: 4-[[[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]amino]methyl]benzoic acid Openeye Name: 4-[[[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]amino]methyl]benzoic acid CAS Name: 4-[[[(2S)-2-(1,3-benzodioxol-5-yloxy)-1-oxopropyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]amino]methyl]benzoic acid Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO6/c1-11(25-14-6-7-15-16(8-14)24-10-23-15)17(20)19-9-12-2-4-13(5-3-12)18(21)22/h2-8,11H,9-10H2,1H3,(H,19,20)(H,21,22)/t11-/m0/s1