ethyl 4-[[3-bromanyl-4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-5-methoxy-phenyl]methylamino]benzoate

Systemtic Name: ethyl 4-[[3-bromanyl-4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-5-methoxy-phenyl]methylamino]benzoate Openeye Name: ethyl 4-[[3-bromo-4-[2-(tert-butylamino)-2-oxo-ethoxy]-5-methoxy-phenyl]methylamino]benzoate CAS Name: 4-[[3-bromo-4-[2-(tert-butylamino)-2-oxoethoxy]-5-methoxyphenyl]methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-bromo-4-[2-(tert-butylamino)-2-oxoethoxy]-5-methoxyphenyl]methylamino]benzoate Traditional Name: 4-[[3-bromo-4-[2-(tert-butylamino)-2-keto-ethoxy]-5-methoxy-benzyl]amino]benzoic acid ethyl ester Formula: C23H29BrN2O5 MolecularWeight: 493.39076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCC2=CC(=C(C(=C2)Br)OCC(=O)NC(C)(C)C)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCC2=CC(=C(C(=C2)Br)OCC(=O)NC(C)(C)C)OC

InChI

InChI=1S/C23H29BrN2O5/c1-6-30-22(28)16-7-9-17(10-8-16)25-13-15-11-18(24)21(19(12-15)29-5)31-14-20(27)26-23(2,3)4/h7-12,25H,6,13-14H2,1-5H3,(H,26,27)