tert-butyl 3-[3,4-bis(oxidanyl)butylcarbamoyl]pyrido[3,4-b]indole-9-carboxylate

Systemtic Name: tert-butyl 3-[3,4-bis(oxidanyl)butylcarbamoyl]pyrido[3,4-b]indole-9-carboxylate Openeye Name: tert-butyl 3-(3,4-dihydroxybutylcarbamoyl)pyrido[3,4-b]indole-9-carboxylate CAS Name: 3-[(3,4-dihydroxybutylamino)-oxomethyl]-9-pyrido[3,4-b]indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3,4-dihydroxybutylcarbamoyl)pyrido[3,4-b]indole-9-carboxylate Traditional Name: 3-(3,4-dihydroxybutylcarbamoyl)-$b-carboline-9-carboxylic acid tert-butyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2C3=CC(=NC=C31)C(=O)NCCC(CO)O

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2C3=CC(=NC=C31)C(=O)NCCC(CO)O

InChI

InChI=1S/C21H25N3O5/c1-21(2,3)29-20(28)24-17-7-5-4-6-14(17)15-10-16(23-11-18(15)24)19(27)22-9-8-13(26)12-25/h4-7,10-11,13,25-26H,8-9,12H2,1-3H3,(H,22,27)