tert-butyl 2-bromanyl-3-[[2-methoxycarbonyl-5-oxidanylidene-1-(phenylmethyl)pyrrolidin-2-yl]methyl]indole-1-carboxylate

Systemtic Name: tert-butyl 2-bromanyl-3-[[2-methoxycarbonyl-5-oxidanylidene-1-(phenylmethyl)pyrrolidin-2-yl]methyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(1-benzyl-2-methoxycarbonyl-5-oxo-pyrrolidin-2-yl)methyl]-2-bromo-indole-1-carboxylate CAS Name: 2-bromo-3-[[2-methoxycarbonyl-5-oxo-1-(phenylmethyl)-2-pyrrolidinyl]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(1-benzyl-2-methoxycarbonyl-5-oxopyrrolidin-2-yl)methyl]-2-bromoindole-1-carboxylate Traditional Name: 3-[(1-benzyl-2-carbomethoxy-5-keto-pyrrolidin-2-yl)methyl]-2-bromo-indole-1-carboxylic acid tert-butyl ester Formula: C27H29BrN2O5 MolecularWeight: 541.43356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1Br)CC3(CCC(=O)N3CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1Br)CC3(CCC(=O)N3CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C27H29BrN2O5/c1-26(2,3)35-25(33)30-21-13-9-8-12-19(21)20(23(30)28)16-27(24(32)34-4)15-14-22(31)29(27)17-18-10-6-5-7-11-18/h5-13H,14-17H2,1-4H3