[(2S,3S)-5-oxidanyl-1-pent-4-enoyl-3-(pent-4-enoylamino)-2,3-dihydroindol-2-yl]methyl benzoate

Systemtic Name: [(2S,3S)-5-oxidanyl-1-pent-4-enoyl-3-(pent-4-enoylamino)-2,3-dihydroindol-2-yl]methyl benzoate Openeye Name: [(2S,3S)-5-hydroxy-1-pent-4-enoyl-3-(pent-4-enoylamino)indolin-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,3S)-5-hydroxy-1-(1-oxopent-4-enyl)-3-(1-oxopent-4-enylamino)-2,3-dihydroindol-2-yl]methyl ester IUPAC Name: [(2S,3S)-5-hydroxy-1-pent-4-enoyl-3-(pent-4-enoylamino)-2,3-dihydroindol-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,3S)-5-hydroxy-1-pent-4-enoyl-3-(pent-4-enoylamino)indolin-2-yl]methyl ester Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(=O)NC1C(N(C2=C1C=C(C=C2)O)C(=O)CCC=C)COC(=O)C3=CC=CC=C3

Isomeric SMILES

C=CCCC(=O)N[C@@H]1[C@H](N(C2=C1C=C(C=C2)O)C(=O)CCC=C)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H28N2O5/c1-3-5-12-23(30)27-25-20-16-19(29)14-15-21(20)28(24(31)13-6-4-2)22(25)17-33-26(32)18-10-8-7-9-11-18/h3-4,7-11,14-16,22,25,29H,1-2,5-6,12-13,17H2,(H,27,30)/t22-,25+/m1/s1