[(E,2R,3S)-2,3-diacetyloxy-5-(9H-pyrido[3,4-b]indol-1-yl)pent-4-enyl] ethanoate

Systemtic Name: [(E,2R,3S)-2,3-diacetyloxy-5-(9H-pyrido[3,4-b]indol-1-yl)pent-4-enyl] ethanoate Openeye Name: [(E,2R,3S)-2,3-diacetoxy-5-(9H-pyrido[3,4-b]indol-1-yl)pent-4-enyl] acetate CAS Name: acetic acid [(E,2R,3S)-2,3-diacetyloxy-5-(9H-pyrido[3,4-b]indol-1-yl)pent-4-enyl] ester IUPAC Name: [(E,2R,3S)-2,3-diacetyloxy-5-(9H-pyrido[3,4-b]indol-1-yl)pent-4-enyl] acetate Traditional Name: acetic acid [(E,2R,3S)-2,3-diacetoxy-5-(9H-$b-carbolin-1-yl)pent-4-enyl] ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(C=CC1=NC=CC2=C1NC3=CC=CC=C23)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@H]([C@H](/C=C/C1=NC=CC2=C1NC3=CC=CC=C23)OC(=O)C)OC(=O)C

InChI

InChI=1S/C22H22N2O6/c1-13(25)28-12-21(30-15(3)27)20(29-14(2)26)9-8-19-22-17(10-11-23-19)16-6-4-5-7-18(16)24-22/h4-11,20-21,24H,12H2,1-3H3/b9-8+/t20-,21+/m0/s1