tert-butyl 4-(1H-indol-2-ylcarbonylamino)-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxylate

Systemtic Name: tert-butyl 4-(1H-indol-2-ylcarbonylamino)-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxylate Openeye Name: tert-butyl 1-benzyl-4-(1H-indole-2-carbonylamino)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 4-[[1H-indol-2-yl(oxo)methyl]amino]-5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-benzyl-4-(1H-indole-2-carbonylamino)-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-benzyl-4-(1H-indole-2-carbonylamino)-5-keto-pyrrolidine-3-carboxylic acid tert-butyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CN(C(=O)C1NC(=O)C2=CC3=CC=CC=C3N2)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1CN(C(=O)C1NC(=O)C2=CC3=CC=CC=C3N2)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4/c1-25(2,3)32-24(31)18-15-28(14-16-9-5-4-6-10-16)23(30)21(18)27-22(29)20-13-17-11-7-8-12-19(17)26-20/h4-13,18,21,26H,14-15H2,1-3H3,(H,27,29)