3-(2-methoxycarbonyl-1-oxidanyl-prop-2-enyl)-2,5-dimethyl-4-oxidanyl-indole-1-carboxylic acid

Systemtic Name: 3-(2-methoxycarbonyl-1-oxidanyl-prop-2-enyl)-2,5-dimethyl-4-oxidanyl-indole-1-carboxylic acid Openeye Name: 4-hydroxy-3-(1-hydroxy-2-methoxycarbonyl-allyl)-2,5-dimethyl-indole-1-carboxylic acid CAS Name: 4-hydroxy-3-(1-hydroxy-2-methoxycarbonylprop-2-enyl)-2,5-dimethyl-1-indolecarboxylic acid IUPAC Name: 4-hydroxy-3-(1-hydroxy-2-methoxycarbonylprop-2-enyl)-2,5-dimethylindole-1-carboxylic acid Traditional Name: 3-(2-carbomethoxy-1-hydroxy-allyl)-4-hydroxy-2,5-dimethyl-indole-1-carboxylic acid Formula: C16H17NO6 MolecularWeight: 319.30928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N(C(=C2C(C(=C)C(=O)OC)O)C)C(=O)O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)N(C(=C2C(C(=C)C(=O)OC)O)C)C(=O)O)O

InChI

InChI=1S/C16H17NO6/c1-7-5-6-10-12(13(7)18)11(9(3)17(10)16(21)22)14(19)8(2)15(20)23-4/h5-6,14,18-19H,2H2,1,3-4H3,(H,21,22)