(Z)-6-(4-azanyl-7-methyl-3-oxidanylidene-6-pent-2-ynyl-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoate

Systemtic Name: (Z)-6-(4-azanyl-7-methyl-3-oxidanylidene-6-pent-2-ynyl-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoate Openeye Name: (Z)-6-(4-amino-7-methyl-3-oxo-6-pent-2-ynyl-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoate CAS Name: (Z)-6-(4-amino-7-methyl-3-oxo-6-pent-2-ynyl-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoate IUPAC Name: (Z)-6-(4-amino-7-methyl-3-oxo-6-pent-2-ynyl-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate Traditional Name: (Z)-6-(4-amino-3-keto-7-methyl-6-pent-2-ynyl-phthalan-5-yl)-4-methyl-hex-4-enoate Formula: C21H24NO4- MolecularWeight: 354.41956

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCC1=C(C2=C(C(=C1CC=C(C)CCC(=O)[O-])N)C(=O)OC2)C

Isomeric SMILES

CCC#CCC1=C(C2=C(C(=C1C/C=C(/C)\CCC(=O)[O-])N)C(=O)OC2)C

InChI

InChI=1S/C21H25NO4/c1-4-5-6-7-15-14(3)17-12-26-21(25)19(17)20(22)16(15)10-8-13(2)9-11-18(23)24/h8H,4,7,9-12,22H2,1-3H3,(H,23,24)/p-1/b13-8-