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

Systemtic Name: methyl 2-[6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-8-[(3-phenylpropylamino)methyl]chromen-3-yl]ethanoate hydrochloride Openeye Name: methyl 2-[6-chloro-7-hydroxy-4-methyl-2-oxo-8-[(3-phenylpropylamino)methyl]chromen-3-yl]acetate hydrochloride CAS Name: 2-[6-chloro-7-hydroxy-4-methyl-2-oxo-8-[(3-phenylpropylamino)methyl]-1-benzopyran-3-yl]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[6-chloro-7-hydroxy-4-methyl-2-oxo-8-[(3-phenylpropylamino)methyl]chromen-3-yl]acetate hydrochloride Traditional Name: 2-[6-chloro-7-hydroxy-2-keto-4-methyl-8-[(3-phenylpropylamino)methyl]chromen-3-yl]acetic acid methyl ester hydrochloride Formula: C23H25Cl2NO5 MolecularWeight: 466.3543

Click to see the large picture

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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClNO5.ClH/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;1H