3-[[3-[[bis(2-oxidanylpropyl)amino]methyl]phenyl]carbonylamino]naphthalene-2-carboxylic acid

Systemtic Name: 3-[[3-[[bis(2-oxidanylpropyl)amino]methyl]phenyl]carbonylamino]naphthalene-2-carboxylic acid Openeye Name: 3-[[3-[[bis(2-hydroxypropyl)amino]methyl]benzoyl]amino]naphthalene-2-carboxylic acid CAS Name: 3-[[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]-oxomethyl]amino]-2-naphthalenecarboxylic acid IUPAC Name: 3-[[3-[[bis(2-hydroxypropyl)amino]methyl]benzoyl]amino]naphthalene-2-carboxylic acid Traditional Name: 3-[[3-[[bis(2-hydroxypropyl)amino]methyl]benzoyl]amino]-2-naphthoic acid Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(CC1=CC=CC(=C1)C(=O)NC2=CC3=CC=CC=C3C=C2C(=O)O)CC(C)O)O

Isomeric SMILES

CC(CN(CC1=CC=CC(=C1)C(=O)NC2=CC3=CC=CC=C3C=C2C(=O)O)CC(C)O)O

InChI

InChI=1S/C25H28N2O5/c1-16(28)13-27(14-17(2)29)15-18-6-5-9-21(10-18)24(30)26-23-12-20-8-4-3-7-19(20)11-22(23)25(31)32/h3-12,16-17,28-29H,13-15H2,1-2H3,(H,26,30)(H,31,32)