methyl 2-[6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-8-[(pyridin-4-ylmethylamino)methyl]chromen-3-yl]ethanoate

Systemtic Name: methyl 2-[6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-8-[(pyridin-4-ylmethylamino)methyl]chromen-3-yl]ethanoate Openeye Name: methyl 2-[6-chloro-7-hydroxy-4-methyl-2-oxo-8-[(4-pyridylmethylamino)methyl]chromen-3-yl]acetate CAS Name: 2-[6-chloro-7-hydroxy-4-methyl-2-oxo-8-[(pyridin-4-ylmethylamino)methyl]-1-benzopyran-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-chloro-7-hydroxy-4-methyl-2-oxo-8-[(pyridin-4-ylmethylamino)methyl]chromen-3-yl]acetate Traditional Name: 2-[6-chloro-7-hydroxy-2-keto-4-methyl-8-[(4-pyridylmethylamino)methyl]chromen-3-yl]acetic acid methyl ester Formula: C20H19ClN2O5 MolecularWeight: 402.82826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)CNCC3=CC=NC=C3)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)CNCC3=CC=NC=C3)CC(=O)OC

InChI

InChI=1S/C20H19ClN2O5/c1-11-13-7-16(21)18(25)15(10-23-9-12-3-5-22-6-4-12)19(13)28-20(26)14(11)8-17(24)27-2/h3-7,23,25H,8-10H2,1-2H3