(Z)-4-(6-bromanyl-1,2-dimethyl-indol-3-yl)-3-ethoxycarbonyl-2-propan-2-ylidene-pent-3-enoic acid

Systemtic Name: (Z)-4-(6-bromanyl-1,2-dimethyl-indol-3-yl)-3-ethoxycarbonyl-2-propan-2-ylidene-pent-3-enoic acid Openeye Name: (Z)-4-(6-bromo-1,2-dimethyl-indol-3-yl)-3-ethoxycarbonyl-2-isopropylidene-pent-3-enoic acid CAS Name: (Z)-4-(6-bromo-1,2-dimethyl-3-indolyl)-3-ethoxycarbonyl-2-propan-2-ylidene-3-pentenoic acid IUPAC Name: (Z)-4-(6-bromo-1,2-dimethylindol-3-yl)-3-ethoxycarbonyl-2-propan-2-ylidenepent-3-enoic acid Traditional Name: (Z)-4-(6-bromo-1,2-dimethyl-indol-3-yl)-3-carbethoxy-2-isopropylidene-pent-3-enoic acid Formula: C21H24BrNO4 MolecularWeight: 434.32356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)C1=C(N(C2=C1C=CC(=C2)Br)C)C)C(=C(C)C)C(=O)O

Isomeric SMILES

CCOC(=O)/C(=C(/C)\C1=C(N(C2=C1C=CC(=C2)Br)C)C)/C(=C(C)C)C(=O)O

InChI

InChI=1S/C21H24BrNO4/c1-7-27-21(26)19(17(11(2)3)20(24)25)12(4)18-13(5)23(6)16-10-14(22)8-9-15(16)18/h8-10H,7H2,1-6H3,(H,24,25)/b19-12-