(2E,4E)-5-[1-(carboxymethyl)-4-phenylmethoxy-indol-3-yl]penta-2,4-dienoic acid

Systemtic Name: (2E,4E)-5-[1-(carboxymethyl)-4-phenylmethoxy-indol-3-yl]penta-2,4-dienoic acid Openeye Name: (2E,4E)-5-[4-benzyloxy-1-(carboxymethyl)indol-3-yl]penta-2,4-dienoic acid CAS Name: (2E,4E)-5-[1-(carboxymethyl)-4-phenylmethoxy-3-indolyl]penta-2,4-dienoic acid IUPAC Name: (2E,4E)-5-[1-(carboxymethyl)-4-phenylmethoxyindol-3-yl]penta-2,4-dienoic acid Traditional Name: (2E,4E)-5-[4-benzoxy-1-(carboxymethyl)indol-3-yl]penta-2,4-dienoic acid Formula: C22H19NO5 MolecularWeight: 377.38996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC3=C2C(=CN3CC(=O)O)C=CC=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC3=C2C(=CN3CC(=O)O)/C=C/C=C/C(=O)O

InChI

InChI=1S/C22H19NO5/c24-20(25)12-5-4-9-17-13-23(14-21(26)27)18-10-6-11-19(22(17)18)28-15-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,24,25)(H,26,27)/b9-4+,12-5+