4-[[[2-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]phenyl]methylamino]methyl]benzoic acid

Systemtic Name: 4-[[[2-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]phenyl]methylamino]methyl]benzoic acid Openeye Name: 4-[[[2-[2-(tert-butylamino)-2-oxo-ethoxy]phenyl]methylamino]methyl]benzoic acid CAS Name: 4-[[[2-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylamino]methyl]benzoic acid IUPAC Name: 4-[[[2-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylamino]methyl]benzoic acid Traditional Name: 4-[[[2-[2-(tert-butylamino)-2-keto-ethoxy]benzyl]amino]methyl]benzoic acid Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC1=CC=CC=C1CNCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)NC(=O)COC1=CC=CC=C1CNCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H26N2O4/c1-21(2,3)23-19(24)14-27-18-7-5-4-6-17(18)13-22-12-15-8-10-16(11-9-15)20(25)26/h4-11,22H,12-14H2,1-3H3,(H,23,24)(H,25,26)