4-[[[2-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methylamino]methyl]benzoic acid

Systemtic Name: 4-[[[2-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methylamino]methyl]benzoic acid Openeye Name: 4-[[[2-[2-(tert-butylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]methylamino]methyl]benzoic acid CAS Name: 4-[[[2-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]methyl]benzoic acid IUPAC Name: 4-[[[2-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]methyl]benzoic acid Traditional Name: 4-[[[2-[2-(tert-butylamino)-2-keto-ethoxy]-3-methoxy-benzyl]amino]methyl]benzoic acid Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC1=C(C=CC=C1OC)CNCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)NC(=O)COC1=C(C=CC=C1OC)CNCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C22H28N2O5/c1-22(2,3)24-19(25)14-29-20-17(6-5-7-18(20)28-4)13-23-12-15-8-10-16(11-9-15)21(26)27/h5-11,23H,12-14H2,1-4H3,(H,24,25)(H,26,27)