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4-[(2S)-2-oxidanyl-3-(propan-2-ylamino)propoxy]benzoic acid

4-[(2S)-2-oxidanyl-3-(propan-2-ylamino)propoxy]benzoic acid

Systemtic Name:4-[(2S)-2-oxidanyl-3-(propan-2-ylamino)propoxy]benzoic acid
Openeye Name:4-[(2S)-2-hydroxy-3-(isopropylamino)propoxy]benzoic acid
CAS Name:4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]benzoic acid
IUPAC Name:4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]benzoic acid
Traditional Name:4-[(2S)-2-hydroxy-3-(isopropylamino)propoxy]benzoic acid
Formula: C13H19NO4
MolecularWeight: 253.29426
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=C(C=C1)C(=O)O)O


Isomeric SMILES

CC(C)NC[C@@H](COC1=CC=C(C=C1)C(=O)O)O


InChI

InChI=1S/C13H19NO4/c1-9(2)14-7-11(15)8-18-12-5-3-10(4-6-12)13(16)17/h3-6,9,11,14-15H,7-8H2,1-2H3,(H,16,17)/t11-/m0/s1


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