tert-butyl 6-[phenylmethoxycarbonyl(pyrrolidin-1-yl)carbamoyl]indole-1-carboperoxoate

Systemtic Name: tert-butyl 6-[phenylmethoxycarbonyl(pyrrolidin-1-yl)carbamoyl]indole-1-carboperoxoate Openeye Name: tert-butyl 6-[benzyloxycarbonyl(pyrrolidin-1-yl)carbamoyl]indole-1-carboperoxoate CAS Name: 6-[oxo-[phenylmethoxycarbonyl(1-pyrrolidinyl)amino]methyl]-1-indolecarboperoxoic acid tert-butyl ester IUPAC Name: tert-butyl 6-[phenylmethoxycarbonyl(pyrrolidin-1-yl)carbamoyl]indole-1-carboperoxoate Traditional Name: 6-[carbobenzoxy(pyrrolidino)carbamoyl]indole-1-carboperoxoic acid tert-butyl ester Formula: C26H29N3O6 MolecularWeight: 479.52496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OOC(=O)N1C=CC2=C1C=C(C=C2)C(=O)N(C(=O)OCC3=CC=CC=C3)N4CCCC4

Isomeric SMILES

CC(C)(C)OOC(=O)N1C=CC2=C1C=C(C=C2)C(=O)N(C(=O)OCC3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C26H29N3O6/c1-26(2,3)35-34-24(31)28-16-13-20-11-12-21(17-22(20)28)23(30)29(27-14-7-8-15-27)25(32)33-18-19-9-5-4-6-10-19/h4-6,9-13,16-17H,7-8,14-15,18H2,1-3H3