ethyl 1-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxidanylidene-ethyl]-2-methyl-5-(4-methylphenyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxidanylidene-ethyl]-2-methyl-5-(4-methylphenyl)pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxo-ethyl]-2-methyl-5-(p-tolyl)pyrrole-3-carboxylate CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl]-2-methyl-5-(4-methylphenyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl]-2-methyl-5-(4-methylphenyl)pyrrole-3-carboxylate Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-keto-ethyl]-2-methyl-5-(p-tolyl)pyrrole-3-carboxylic acid ethyl ester Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)C)CC(=O)NCC3COC4=CC=CC=C4O3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)C)CC(=O)NCC3COC4=CC=CC=C4O3)C

InChI

InChI=1S/C26H28N2O5/c1-4-31-26(30)21-13-22(19-11-9-17(2)10-12-19)28(18(21)3)15-25(29)27-14-20-16-32-23-7-5-6-8-24(23)33-20/h5-13,20H,4,14-16H2,1-3H3,(H,27,29)