4-[[[(2S)-2-(1H-indol-3-yl)-2-phenyl-ethyl]amino]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[[(2S)-2-(1H-indol-3-yl)-2-phenyl-ethyl]amino]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[[(2S)-2-(1H-indol-3-yl)-2-phenyl-ethyl]amino]methyl]chromen-2-one CAS Name: 7-hydroxy-4-[[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]methyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[[(2S)-2-(1H-indol-3-yl)-2-phenyl-ethyl]amino]methyl]coumarin Formula: C26H22N2O3 MolecularWeight: 410.46448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNCC2=CC(=O)OC3=C2C=CC(=C3)O)C4=CNC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CNCC2=CC(=O)OC3=C2C=CC(=C3)O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C26H22N2O3/c29-19-10-11-20-18(12-26(30)31-25(20)13-19)14-27-15-22(17-6-2-1-3-7-17)23-16-28-24-9-5-4-8-21(23)24/h1-13,16,22,27-29H,14-15H2/t22-/m0/s1