methyl 2-(4-bromophenyl)-5-[tert-butyl-[2-(tert-butylamino)ethyl]amino]-4-phenyl-furan-3-carboxylate

Systemtic Name: methyl 2-(4-bromophenyl)-5-[tert-butyl-[2-(tert-butylamino)ethyl]amino]-4-phenyl-furan-3-carboxylate Openeye Name: methyl 2-(4-bromophenyl)-5-[tert-butyl-[2-(tert-butylamino)ethyl]amino]-4-phenyl-furan-3-carboxylate CAS Name: 2-(4-bromophenyl)-5-[tert-butyl-[2-(tert-butylamino)ethyl]amino]-4-phenyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-(4-bromophenyl)-5-[tert-butyl-[2-(tert-butylamino)ethyl]amino]-4-phenylfuran-3-carboxylate Traditional Name: 2-(4-bromophenyl)-5-[tert-butyl-[2-(tert-butylamino)ethyl]amino]-4-phenyl-furan-3-carboxylic acid methyl ester Formula: C28H35BrN2O3 MolecularWeight: 527.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCCN(C1=C(C(=C(O1)C2=CC=C(C=C2)Br)C(=O)OC)C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)NCCN(C1=C(C(=C(O1)C2=CC=C(C=C2)Br)C(=O)OC)C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C28H35BrN2O3/c1-27(2,3)30-17-18-31(28(4,5)6)25-22(19-11-9-8-10-12-19)23(26(32)33-7)24(34-25)20-13-15-21(29)16-14-20/h8-16,30H,17-18H2,1-7H3