4-[[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]methyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-7-hydroxychromen-2-one Traditional Name: 4-[[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]methyl]-7-hydroxy-coumarin Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)NCC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C(C)C)NCC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C22H25NO3/c1-4-15-5-7-16(8-6-15)22(14(2)3)23-13-17-11-21(25)26-20-12-18(24)9-10-19(17)20/h5-12,14,22-24H,4,13H2,1-3H3/t22-/m0/s1