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

Systemtic Name: 2-tert-butyl-5-(2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazin-6-yl)pyrrole-1-carboxylic acid Openeye Name: 2-tert-butyl-5-(2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazin-6-yl)pyrrole-1-carboxylic acid CAS Name: 2-tert-butyl-5-(2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazin-6-yl)-1-pyrrolecarboxylic acid IUPAC Name: 2-tert-butyl-5-(2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazin-6-yl)pyrrole-1-carboxylic acid Traditional Name: 2-tert-butyl-5-(2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazin-6-yl)pyrrole-1-carboxylic acid Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CC1NC2=C(C=C(C=C2)C3=CC=C(N3C(=O)O)C(C)(C)C)C(O1)(C)C

Isomeric SMILES

CC1NC2=C(C=C(C=C2)C3=CC=C(N3C(=O)O)C(C)(C)C)C(O1)(C)C

InChI

InChI=1S/C20H26N2O3/c1-12-21-15-8-7-13(11-14(15)20(5,6)25-12)16-9-10-17(19(2,3)4)22(16)18(23)24/h7-12,21H,1-6H3,(H,23,24)