(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid (7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)C3CC4=C(C=CC(=C4)Cl)OC3)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)[C@H]3CC4=C(C=CC(=C4)Cl)OC3)C=C1

InChI

InChI=1S/C20H17ClN2O4/c1-12-2-5-18-22-16(8-19(24)23(18)9-12)11-27-20(25)14-6-13-7-15(21)3-4-17(13)26-10-14/h2-5,7-9,14H,6,10-11H2,1H3/t14-/m0/s1