2-[[3-[[bis(2-oxidanylpropyl)amino]methyl]phenyl]carbonylamino]-5-piperidin-1-yl-benzoic acid

Systemtic Name: 2-[[3-[[bis(2-oxidanylpropyl)amino]methyl]phenyl]carbonylamino]-5-piperidin-1-yl-benzoic acid Openeye Name: 2-[[3-[[bis(2-hydroxypropyl)amino]methyl]benzoyl]amino]-5-(1-piperidyl)benzoic acid CAS Name: 2-[[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]-oxomethyl]amino]-5-(1-piperidinyl)benzoic acid IUPAC Name: 2-[[3-[[bis(2-hydroxypropyl)amino]methyl]benzoyl]amino]-5-piperidin-1-ylbenzoic acid Traditional Name: 2-[[3-[[bis(2-hydroxypropyl)amino]methyl]benzoyl]amino]-5-piperidino-benzoic acid Formula: C26H35N3O5 MolecularWeight: 469.5732

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(CC1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)N3CCCCC3)C(=O)O)CC(C)O)O

Isomeric SMILES

CC(CN(CC1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)N3CCCCC3)C(=O)O)CC(C)O)O

InChI

InChI=1S/C26H35N3O5/c1-18(30)15-28(16-19(2)31)17-20-7-6-8-21(13-20)25(32)27-24-10-9-22(14-23(24)26(33)34)29-11-4-3-5-12-29/h6-10,13-14,18-19,30-31H,3-5,11-12,15-17H2,1-2H3,(H,27,32)(H,33,34)