2,3-dihydro-1H-isoindole; O5-ethyl O3-methyl 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: 2,3-dihydro-1H-isoindole; O5-ethyl O3-methyl 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; isoindoline CAS Name: 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester; 2,3-dihydro-1H-isoindole IUPAC Name: 2,3-dihydro-1H-isoindole; 5-O-ethyl 3-O-methyl 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester; isoindoline Formula: C26H29ClN2O4 MolecularWeight: 468.97246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClNO4.C8H9N/c1-5-24-18(22)15-11(3)20-10(2)14(17(21)23-4)16(15)12-7-6-8-13(19)9-12;1-2-4-8-6-9-5-7(8)3-1/h6-9,16,20H,5H2,1-4H3;1-4,9H,5-6H2