O3-methyl O5-prop-2-ynyl 4-(3-chloranyl-9-oxidanylidene-xanthen-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-methyl O5-prop-2-ynyl 4-(3-chloranyl-9-oxidanylidene-xanthen-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-methyl O5-prop-2-ynyl 4-(3-chloro-9-oxo-xanthen-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(3-chloro-9-oxo-4-xanthenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-prop-2-ynyl ester IUPAC Name: 3-O-methyl 5-O-prop-2-ynyl 4-(3-chloro-9-oxoxanthen-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(3-chloro-9-keto-xanthen-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-propargyl ester Formula: C26H20ClNO6 MolecularWeight: 477.8931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCC#C)C2=C(C=CC3=C2OC4=CC=CC=C4C3=O)Cl)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCC#C)C2=C(C=CC3=C2OC4=CC=CC=C4C3=O)Cl)C(=O)OC

InChI

InChI=1S/C26H20ClNO6/c1-5-12-33-26(31)20-14(3)28-13(2)19(25(30)32-4)22(20)21-17(27)11-10-16-23(29)15-8-6-7-9-18(15)34-24(16)21/h1,6-11,22,28H,12H2,2-4H3