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

Systemtic Name: 2,3-dihydro-1H-isoindole; O5-ethyl O3-methyl 4-(3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 4-(3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; isoindoline CAS Name: 2,3-dihydro-1H-isoindole; 4-(3-methoxyphenyl)-2,6-dimethyl-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 4-(3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: isoindoline; 4-(3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C27H32N2O5 MolecularWeight: 464.55338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO5.C8H9N/c1-6-25-19(22)16-12(3)20-11(2)15(18(21)24-5)17(16)13-8-7-9-14(10-13)23-4;1-2-4-8-6-9-5-7(8)3-1/h7-10,17,20H,6H2,1-5H3;1-4,9H,5-6H2