(1S)-3-[(4-azanyl-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)methyl]-4-methyl-cyclopent-3-ene-1-carboxylic acid

Systemtic Name: (1S)-3-[(4-azanyl-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)methyl]-4-methyl-cyclopent-3-ene-1-carboxylic acid Openeye Name: (1S)-3-[(4-amino-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)methyl]-4-methyl-cyclopent-3-ene-1-carboxylic acid CAS Name: (1S)-3-[(4-amino-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)methyl]-4-methyl-1-cyclopent-3-enecarboxylic acid IUPAC Name: (1S)-3-[(4-amino-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)methyl]-4-methylcyclopent-3-ene-1-carboxylic acid Traditional Name: (1S)-3-[(4-amino-3-keto-6-methoxy-7-methyl-phthalan-5-yl)methyl]-4-methyl-cyclopent-3-ene-1-carboxylic acid Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C1)C(=O)O)CC2=C(C3=C(COC3=O)C(=C2OC)C)N

Isomeric SMILES

CC1=C(C[C@H](C1)C(=O)O)CC2=C(C3=C(COC3=O)C(=C2OC)C)N

InChI

InChI=1S/C18H21NO5/c1-8-4-11(17(20)21)5-10(8)6-12-15(19)14-13(7-24-18(14)22)9(2)16(12)23-3/h11H,4-7,19H2,1-3H3,(H,20,21)/t11-/m0/s1