O3-ethyl O5-prop-2-ynyl 2-(2-azanylethoxymethyl)-6-methyl-4-(9-oxidanylidenexanthen-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-prop-2-ynyl 2-(2-azanylethoxymethyl)-6-methyl-4-(9-oxidanylidenexanthen-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-prop-2-ynyl 2-(2-aminoethoxymethyl)-6-methyl-4-(9-oxoxanthen-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-(2-aminoethoxymethyl)-6-methyl-4-(9-oxo-4-xanthenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-prop-2-ynyl ester IUPAC Name: 3-O-ethyl 5-O-prop-2-ynyl 2-(2-aminoethoxymethyl)-6-methyl-4-(9-oxoxanthen-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-(2-aminoethoxymethyl)-4-(9-ketoxanthen-4-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-propargyl ester Formula: C29H28N2O7 MolecularWeight: 516.54182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC3=C2OC4=CC=CC=C4C3=O)C(=O)OCC#C)C)COCCN

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC3=C2OC4=CC=CC=C4C3=O)C(=O)OCC#C)C)COCCN

InChI

InChI=1S/C29H28N2O7/c1-4-14-37-28(33)23-17(3)31-21(16-35-15-13-30)25(29(34)36-5-2)24(23)19-10-8-11-20-26(32)18-9-6-7-12-22(18)38-27(19)20/h1,6-12,24,31H,5,13-16,30H2,2-3H3