6-[[(3,5-dimethylphenyl)amino]methyl]-4,8-dimethyl-7-oxidanyl-3-(phenylmethyl)chromen-2-one

Systemtic Name: 6-[[(3,5-dimethylphenyl)amino]methyl]-4,8-dimethyl-7-oxidanyl-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-6-[(3,5-dimethylanilino)methyl]-7-hydroxy-4,8-dimethyl-chromen-2-one CAS Name: 6-[(3,5-dimethylanilino)methyl]-7-hydroxy-4,8-dimethyl-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-6-[(3,5-dimethylanilino)methyl]-7-hydroxy-4,8-dimethylchromen-2-one Traditional Name: 3-benzyl-6-[(3,5-dimethylanilino)methyl]-7-hydroxy-4,8-dimethyl-coumarin Formula: C27H27NO3 MolecularWeight: 413.50818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NCC2=C(C(=C3C(=C2)C(=C(C(=O)O3)CC4=CC=CC=C4)C)C)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)NCC2=C(C(=C3C(=C2)C(=C(C(=O)O3)CC4=CC=CC=C4)C)C)O)C

InChI

InChI=1S/C27H27NO3/c1-16-10-17(2)12-22(11-16)28-15-21-14-23-18(3)24(13-20-8-6-5-7-9-20)27(30)31-26(23)19(4)25(21)29/h5-12,14,28-29H,13,15H2,1-4H3