(Z)-6-(4-azanyl-6-ethynyl-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoic acid

Systemtic Name: (Z)-6-(4-azanyl-6-ethynyl-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoic acid Openeye Name: (Z)-6-(4-amino-6-ethynyl-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid CAS Name: (Z)-6-(4-amino-6-ethynyl-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid IUPAC Name: (Z)-6-(4-amino-6-ethynyl-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid Traditional Name: (Z)-6-(4-amino-6-ethynyl-3-keto-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoic acid Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)N)CC=C(C)CCC(=O)O)C#C

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)N)C/C=C(/C)\CCC(=O)O)C#C

InChI

InChI=1S/C18H19NO4/c1-4-12-11(3)14-9-23-18(22)16(14)17(19)13(12)7-5-10(2)6-8-15(20)21/h1,5H,6-9,19H2,2-3H3,(H,20,21)/b10-5-