5-tert-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-pyrrole-3-carboxylic acid

Systemtic Name: 5-tert-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-pyrrole-3-carboxylic acid Openeye Name: 5-tert-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-pyrrole-3-carboxylic acid CAS Name: 5-tert-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-pyrrolecarboxylic acid IUPAC Name: 5-tert-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrrole-3-carboxylic acid Traditional Name: 5-tert-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-pyrrole-3-carboxylic acid Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C2=CC3=C(C=C2)OCCO3)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1C2=CC3=C(C=C2)OCCO3)C(C)(C)C)C(=O)O

InChI

InChI=1S/C18H21NO4/c1-11-13(17(20)21)10-16(18(2,3)4)19(11)12-5-6-14-15(9-12)23-8-7-22-14/h5-6,9-10H,7-8H2,1-4H3,(H,20,21)