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

Systemtic Name: methyl 2-[6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-8-[[(phenylmethyl)amino]methyl]chromen-3-yl]ethanoate Openeye Name: methyl 2-[8-[(benzylamino)methyl]-6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-3-yl]acetate CAS Name: 2-[6-chloro-7-hydroxy-4-methyl-2-oxo-8-[[(phenylmethyl)amino]methyl]-1-benzopyran-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[8-[(benzylamino)methyl]-6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl]acetate Traditional Name: 2-[8-[(benzylamino)methyl]-6-chloro-7-hydroxy-2-keto-4-methyl-chromen-3-yl]acetic acid methyl ester Formula: C21H20ClNO5 MolecularWeight: 401.8402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO5/c1-12-14-8-17(22)19(25)16(11-23-10-13-6-4-3-5-7-13)20(14)28-21(26)15(12)9-18(24)27-2/h3-8,23,25H,9-11H2,1-2H3