8-[[(4-butoxyphenyl)amino]methyl]-4-methyl-7-oxidanyl-3-(phenylmethyl)chromen-2-one hydrochloride

Systemtic Name: 8-[[(4-butoxyphenyl)amino]methyl]-4-methyl-7-oxidanyl-3-(phenylmethyl)chromen-2-one hydrochloride Openeye Name: 3-benzyl-8-[(4-butoxyanilino)methyl]-7-hydroxy-4-methyl-chromen-2-one hydrochloride CAS Name: 8-[(4-butoxyanilino)methyl]-7-hydroxy-4-methyl-3-(phenylmethyl)-1-benzopyran-2-one hydrochloride IUPAC Name: 3-benzyl-8-[(4-butoxyanilino)methyl]-7-hydroxy-4-methylchromen-2-one hydrochloride Traditional Name: 3-benzyl-8-[(4-butoxyanilino)methyl]-7-hydroxy-4-methyl-coumarin hydrochloride Formula: C28H30ClNO4 MolecularWeight: 479.9951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NCC2=C(C=CC3=C2OC(=O)C(=C3C)CC4=CC=CC=C4)O.Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NCC2=C(C=CC3=C2OC(=O)C(=C3C)CC4=CC=CC=C4)O.Cl

InChI

InChI=1S/C28H29NO4.ClH/c1-3-4-16-32-22-12-10-21(11-13-22)29-18-25-26(30)15-14-23-19(2)24(28(31)33-27(23)25)17-20-8-6-5-7-9-20;/h5-15,29-30H,3-4,16-18H2,1-2H3;1H