(E)-7-[3-[(2-methoxy-4-methoxycarbonyl-phenyl)methyl]-1H-indol-5-yl]hept-3-enoic acid

Systemtic Name: (E)-7-[3-[(2-methoxy-4-methoxycarbonyl-phenyl)methyl]-1H-indol-5-yl]hept-3-enoic acid Openeye Name: (E)-7-[3-[(2-methoxy-4-methoxycarbonyl-phenyl)methyl]-1H-indol-5-yl]hept-3-enoic acid CAS Name: (E)-7-[3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1H-indol-5-yl]-3-heptenoic acid IUPAC Name: (E)-7-[3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1H-indol-5-yl]hept-3-enoic acid Traditional Name: (E)-7-[3-(4-carbomethoxy-2-methoxy-benzyl)-1H-indol-5-yl]hept-3-enoic acid Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)CC2=CNC3=C2C=C(C=C3)CCCC=CCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)CC2=CNC3=C2C=C(C=C3)CCC/C=C/CC(=O)O

InChI

InChI=1S/C25H27NO5/c1-30-23-15-19(25(29)31-2)11-10-18(23)14-20-16-26-22-12-9-17(13-21(20)22)7-5-3-4-6-8-24(27)28/h4,6,9-13,15-16,26H,3,5,7-8,14H2,1-2H3,(H,27,28)/b6-4+