ethyl 2-(2-azanylethoxymethyl)-7,7-dimethyl-5-oxidanylidene-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl 2-(2-azanylethoxymethyl)-7,7-dimethyl-5-oxidanylidene-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 2-(2-aminoethoxymethyl)-7,7-dimethyl-5-oxo-4-(4-pyridyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 2-(2-aminoethoxymethyl)-7,7-dimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-aminoethoxymethyl)-7,7-dimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 2-(2-aminoethoxymethyl)-5-keto-7,7-dimethyl-4-(4-pyridyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC=NC=C3)C(=O)CC(C2)(C)C)COCCN

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC=NC=C3)C(=O)CC(C2)(C)C)COCCN

InChI

InChI=1S/C22H29N3O4/c1-4-29-21(27)20-16(13-28-10-7-23)25-15-11-22(2,3)12-17(26)19(15)18(20)14-5-8-24-9-6-14/h5-6,8-9,18,25H,4,7,10-13,23H2,1-3H3