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

Systemtic Name: methyl 2-[6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-8-[(3-phenylpropylamino)methyl]chromen-3-yl]ethanoate Openeye Name: methyl 2-[6-chloro-7-hydroxy-4-methyl-2-oxo-8-[(3-phenylpropylamino)methyl]chromen-3-yl]acetate CAS Name: 2-[6-chloro-7-hydroxy-4-methyl-2-oxo-8-[(3-phenylpropylamino)methyl]-1-benzopyran-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-chloro-7-hydroxy-4-methyl-2-oxo-8-[(3-phenylpropylamino)methyl]chromen-3-yl]acetate Traditional Name: 2-[6-chloro-7-hydroxy-2-keto-4-methyl-8-[(3-phenylpropylamino)methyl]chromen-3-yl]acetic acid methyl ester Formula: C23H24ClNO5 MolecularWeight: 429.89336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)CNCCCC3=CC=CC=C3)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)CNCCCC3=CC=CC=C3)CC(=O)OC

InChI

InChI=1S/C23H24ClNO5/c1-14-16-11-19(24)21(27)18(13-25-10-6-9-15-7-4-3-5-8-15)22(16)30-23(28)17(14)12-20(26)29-2/h3-5,7-8,11,25,27H,6,9-10,12-13H2,1-2H3