dimethyl (1S)-1-(chloromethyl)-5-oxidanyl-1,2-dihydrobenzo[e]indole-3,6-dicarboxylate

Systemtic Name: dimethyl (1S)-1-(chloromethyl)-5-oxidanyl-1,2-dihydrobenzo[e]indole-3,6-dicarboxylate Openeye Name: dimethyl (1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3,6-dicarboxylate CAS Name: (1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3,6-dicarboxylate Traditional Name: (1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenz[e]indole-3,6-dicarboxylic acid dimethyl ester Formula: C17H16ClNO5 MolecularWeight: 349.76564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC2=C3C(CN(C3=CC(=C21)O)C(=O)OC)CCl

Isomeric SMILES

COC(=O)C1=CC=CC2=C3[C@@H](CN(C3=CC(=C21)O)C(=O)OC)CCl

InChI

InChI=1S/C17H16ClNO5/c1-23-16(21)11-5-3-4-10-14-9(7-18)8-19(17(22)24-2)12(14)6-13(20)15(10)11/h3-6,9,20H,7-8H2,1-2H3/t9-/m1/s1