2-chloranyl-4-methoxy-6-[(Z)-1-[7-methyl-4-(methylamino)-3-oxidanylidene-6-prop-2-enyl-1H-2-benzofuran-5-yl]non-2-en-3-yl]benzoic acid

Systemtic Name: 2-chloranyl-4-methoxy-6-[(Z)-1-[7-methyl-4-(methylamino)-3-oxidanylidene-6-prop-2-enyl-1H-2-benzofuran-5-yl]non-2-en-3-yl]benzoic acid Openeye Name: 2-[(1Z)-1-[2-[6-allyl-7-methyl-4-(methylamino)-3-oxo-1H-isobenzofuran-5-yl]ethylidene]heptyl]-6-chloro-4-methoxy-benzoic acid CAS Name: 2-chloro-4-methoxy-6-[(Z)-1-[7-methyl-4-(methylamino)-3-oxo-6-prop-2-enyl-1H-isobenzofuran-5-yl]non-2-en-3-yl]benzoic acid IUPAC Name: 2-chloro-4-methoxy-6-[(Z)-1-[7-methyl-4-(methylamino)-3-oxo-6-prop-2-enyl-1H-2-benzofuran-5-yl]non-2-en-3-yl]benzoic acid Traditional Name: 2-[(Z)-3-[6-allyl-3-keto-7-methyl-4-(methylamino)phthalan-5-yl]-1-hexyl-prop-1-enyl]-6-chloro-4-methoxy-benzoic acid Formula: C30H36ClNO5 MolecularWeight: 526.06354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=CCC1=C(C2=C(COC2=O)C(=C1CC=C)C)NC)C3=CC(=CC(=C3C(=O)O)Cl)OC

Isomeric SMILES

CCCCCC/C(=C/CC1=C(C2=C(COC2=O)C(=C1CC=C)C)NC)/C3=CC(=CC(=C3C(=O)O)Cl)OC

InChI

InChI=1S/C30H36ClNO5/c1-6-8-9-10-12-19(23-15-20(36-5)16-25(31)26(23)29(33)34)13-14-22-21(11-7-2)18(3)24-17-37-30(35)27(24)28(22)32-4/h7,13,15-16,32H,2,6,8-12,14,17H2,1,3-5H3,(H,33,34)/b19-13-