2,3-dihydro-1H-isoindole; O5-ethyl O3-methyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: 2,3-dihydro-1H-isoindole; O5-ethyl O3-methyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 2,6-dimethyl-4-(3-pyridyl)-1,4-dihydropyridine-3,5-dicarboxylate; isoindoline CAS Name: 2,3-dihydro-1H-isoindole; 2,6-dimethyl-4-(3-pyridinyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 2,3-dihydro-1H-isoindole; 5-O-ethyl 3-O-methyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-pyridyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester; isoindoline Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CN=CC=C2)C(=O)OC)C)C.C1C2=CC=CC=C2CN1

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CN=CC=C2)C(=O)OC)C)C.C1C2=CC=CC=C2CN1

InChI

InChI=1S/C17H20N2O4.C8H9N/c1-5-23-17(21)14-11(3)19-10(2)13(16(20)22-4)15(14)12-7-6-8-18-9-12;1-2-4-8-6-9-5-7(8)3-1/h6-9,15,19H,5H2,1-4H3;1-4,9H,5-6H2