tert-butyl 4-bromanyl-3-[2-(4-methyl-5-oxidanylidene-2H-furan-2-yl)-2-[methyl-(phenylmethyl)amino]ethyl]indole-1-carboxylate

Systemtic Name: tert-butyl 4-bromanyl-3-[2-(4-methyl-5-oxidanylidene-2H-furan-2-yl)-2-[methyl-(phenylmethyl)amino]ethyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[2-[benzyl(methyl)amino]-2-(4-methyl-5-oxo-2H-furan-2-yl)ethyl]-4-bromo-indole-1-carboxylate CAS Name: 4-bromo-3-[2-(4-methyl-5-oxo-2H-furan-2-yl)-2-[methyl-(phenylmethyl)amino]ethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-[benzyl(methyl)amino]-2-(4-methyl-5-oxo-2H-furan-2-yl)ethyl]-4-bromoindole-1-carboxylate Traditional Name: 3-[2-[benzyl(methyl)amino]-2-(5-keto-4-methyl-2H-furan-2-yl)ethyl]-4-bromo-indole-1-carboxylic acid tert-butyl ester Formula: C28H31BrN2O4 MolecularWeight: 539.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(OC1=O)C(CC2=CN(C3=C2C(=CC=C3)Br)C(=O)OC(C)(C)C)N(C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(OC1=O)C(CC2=CN(C3=C2C(=CC=C3)Br)C(=O)OC(C)(C)C)N(C)CC4=CC=CC=C4

InChI

InChI=1S/C28H31BrN2O4/c1-18-14-24(34-26(18)32)23(30(5)16-19-10-7-6-8-11-19)15-20-17-31(27(33)35-28(2,3)4)22-13-9-12-21(29)25(20)22/h6-14,17,23-24H,15-16H2,1-5H3