O3-tert-butyl O7-methyl (5S,7S)-5-[(1S)-1-oxidanylethyl]-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole-3,7-dicarboxylate

Systemtic Name: O3-tert-butyl O7-methyl (5S,7S)-5-[(1S)-1-oxidanylethyl]-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole-3,7-dicarboxylate Openeye Name: O3-tert-butyl O7-methyl (5S,7S)-5-[(1S)-1-hydroxyethyl]-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole-3,7-dicarboxylate CAS Name: (5S,7S)-5-[(1S)-1-hydroxyethyl]-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole-3,7-dicarboxylic acid O3-tert-butyl ester O7-methyl ester IUPAC Name: 3-O-tert-butyl 7-O-methyl (5S,7S)-5-[(1S)-1-hydroxyethyl]-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole-3,7-dicarboxylate Traditional Name: (5S,7S)-5-[(1S)-1-hydroxyethyl]-2,4,5,6,7,8-hexahydro-1H-azonin[5,4-b]indole-3,7-dicarboxylic acid O3-tert-butyl ester O7-methyl ester Formula: C23H32N2O5 MolecularWeight: 416.51058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC(C2=C(CCN(C1)C(=O)OC(C)(C)C)C3=CC=CC=C3N2)C(=O)OC)O

Isomeric SMILES

C[C@@H]([C@H]1C[C@@H](C2=C(CCN(C1)C(=O)OC(C)(C)C)C3=CC=CC=C3N2)C(=O)OC)O

InChI

InChI=1S/C23H32N2O5/c1-14(26)15-12-18(21(27)29-5)20-17(16-8-6-7-9-19(16)24-20)10-11-25(13-15)22(28)30-23(2,3)4/h6-9,14-15,18,24,26H,10-13H2,1-5H3/t14-,15-,18-/m0/s1