(2S)-2-(6-methoxy-8-oxidanyl-1-oxidanylidene-isochromen-3-yl)-N-[(1R)-1-phenylethyl]propanamide

Systemtic Name: (2S)-2-(6-methoxy-8-oxidanyl-1-oxidanylidene-isochromen-3-yl)-N-[(1R)-1-phenylethyl]propanamide Openeye Name: (2S)-2-(8-hydroxy-6-methoxy-1-oxo-isochromen-3-yl)-N-[(1R)-1-phenylethyl]propanamide CAS Name: (2S)-2-(8-hydroxy-6-methoxy-1-oxo-2-benzopyran-3-yl)-N-[(1R)-1-phenylethyl]propanamide IUPAC Name: (2S)-2-(8-hydroxy-6-methoxy-1-oxoisochromen-3-yl)-N-[(1R)-1-phenylethyl]propanamide Traditional Name: (2S)-2-(8-hydroxy-1-keto-6-methoxy-isochromen-3-yl)-N-[(1R)-1-phenylethyl]propionamide Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)C2=CC3=CC(=CC(=C3C(=O)O2)O)OC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)[C@@H](C)C2=CC3=CC(=CC(=C3C(=O)O2)O)OC

InChI

InChI=1S/C21H21NO5/c1-12(20(24)22-13(2)14-7-5-4-6-8-14)18-10-15-9-16(26-3)11-17(23)19(15)21(25)27-18/h4-13,23H,1-3H3,(H,22,24)/t12-,13+/m0/s1