4-[[[2-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]naphthalen-1-yl]methylamino]methyl]benzoic acid

Systemtic Name: 4-[[[2-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]naphthalen-1-yl]methylamino]methyl]benzoic acid Openeye Name: 4-[[[2-[2-(tert-butylamino)-2-oxo-ethoxy]-1-naphthyl]methylamino]methyl]benzoic acid CAS Name: 4-[[[2-[2-(tert-butylamino)-2-oxoethoxy]-1-naphthalenyl]methylamino]methyl]benzoic acid IUPAC Name: 4-[[[2-[2-(tert-butylamino)-2-oxoethoxy]naphthalen-1-yl]methylamino]methyl]benzoic acid Traditional Name: 4-[[[2-[2-(tert-butylamino)-2-keto-ethoxy]-1-naphthyl]methylamino]methyl]benzoic acid Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC1=C(C2=CC=CC=C2C=C1)CNCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)(C)NC(=O)COC1=C(C2=CC=CC=C2C=C1)CNCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H28N2O4/c1-25(2,3)27-23(28)16-31-22-13-12-18-6-4-5-7-20(18)21(22)15-26-14-17-8-10-19(11-9-17)24(29)30/h4-13,26H,14-16H2,1-3H3,(H,27,28)(H,29,30)