[(2S)-2-[2-[[(2S)-1-oxidanylbutan-2-yl]amino]ethylamino]butyl] 4-azanyl-2-oxidanyl-benzoate

Systemtic Name: [(2S)-2-[2-[[(2S)-1-oxidanylbutan-2-yl]amino]ethylamino]butyl] 4-azanyl-2-oxidanyl-benzoate Openeye Name: [(2S)-2-[2-[[(1S)-1-(hydroxymethyl)propyl]amino]ethylamino]butyl] 4-amino-2-hydroxy-benzoate CAS Name: 4-amino-2-hydroxybenzoic acid [(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butyl] ester IUPAC Name: [(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butyl] 4-amino-2-hydroxybenzoate Traditional Name: 4-amino-2-hydroxy-benzoic acid [(2S)-2-[2-[[(1S)-1-methylolpropyl]amino]ethylamino]butyl] ester Formula: C17H29N3O4 MolecularWeight: 339.42986

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NCCNC(CC)COC(=O)C1=C(C=C(C=C1)N)O

Isomeric SMILES

CC[C@@H](CO)NCCN[C@@H](CC)COC(=O)C1=C(C=C(C=C1)N)O

InChI

InChI=1S/C17H29N3O4/c1-3-13(10-21)19-7-8-20-14(4-2)11-24-17(23)15-6-5-12(18)9-16(15)22/h5-6,9,13-14,19-22H,3-4,7-8,10-11,18H2,1-2H3/t13-,14-/m0/s1