(2R)-5-methoxy-5-oxidanylidene-2-[(1S)-1-oxidanyl-3-oxidanylidene-1H-benzo[de]isoquinolin-2-yl]pentanoic acid

Systemtic Name: (2R)-5-methoxy-5-oxidanylidene-2-[(1S)-1-oxidanyl-3-oxidanylidene-1H-benzo[de]isoquinolin-2-yl]pentanoic acid Openeye Name: (2R)-2-[(1S)-1-hydroxy-3-oxo-1H-benzo[de]isoquinolin-2-yl]-5-methoxy-5-oxo-pentanoic acid CAS Name: (2R)-2-[(1S)-1-hydroxy-3-oxo-1H-benzo[de]isoquinolin-2-yl]-5-methoxy-5-oxopentanoic acid IUPAC Name: (2R)-2-[(1S)-1-hydroxy-3-oxo-1H-benzo[de]isoquinolin-2-yl]-5-methoxy-5-oxopentanoic acid Traditional Name: (2R)-2-[(1S)-1-hydroxy-3-keto-1H-benzo[de]isoquinolin-2-yl]-5-keto-5-methoxy-valeric acid Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C(=O)O)N1C(C2=CC=CC3=C2C(=CC=C3)C1=O)O

Isomeric SMILES

COC(=O)CC[C@H](C(=O)O)N1[C@H](C2=CC=CC3=C2C(=CC=C3)C1=O)O

InChI

InChI=1S/C18H17NO6/c1-25-14(20)9-8-13(18(23)24)19-16(21)11-6-2-4-10-5-3-7-12(15(10)11)17(19)22/h2-7,13,16,21H,8-9H2,1H3,(H,23,24)/t13-,16+/m1/s1