methyl (1S)-2-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]-1-oxidanyl-3-oxidanylidene-isoindole-1-carboxylate

Systemtic Name: methyl (1S)-2-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]-1-oxidanyl-3-oxidanylidene-isoindole-1-carboxylate Openeye Name: methyl (1S)-1-hydroxy-2-[(1S)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]-3-oxo-isoindoline-1-carboxylate CAS Name: (1S)-1-hydroxy-2-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]-3-oxo-1-isoindolecarboxylic acid methyl ester IUPAC Name: methyl (1S)-1-hydroxy-2-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]-3-oxoisoindole-1-carboxylate Traditional Name: (1S)-1-hydroxy-2-[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-methoxy-ethyl]-3-keto-isoindoline-1-carboxylic acid methyl ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)N3C(=O)C4=CC=CC=C4C3(C(=O)OC)O

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)N3C(=O)C4=CC=CC=C4[C@@]3(C(=O)OC)O

InChI

InChI=1S/C22H20N2O6/c1-29-20(26)18(11-13-12-23-17-10-6-4-7-14(13)17)24-19(25)15-8-3-5-9-16(15)22(24,28)21(27)30-2/h3-10,12,18,23,28H,11H2,1-2H3/t18-,22-/m0/s1