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

Systemtic Name: (2E,4E)-5-[1-(carboxymethyl)-5-phenylmethoxy-indol-3-yl]penta-2,4-dienoic acid Openeye Name: (2E,4E)-5-[5-benzyloxy-1-(carboxymethyl)indol-3-yl]penta-2,4-dienoic acid CAS Name: (2E,4E)-5-[1-(carboxymethyl)-5-phenylmethoxy-3-indolyl]penta-2,4-dienoic acid IUPAC Name: (2E,4E)-5-[1-(carboxymethyl)-5-phenylmethoxyindol-3-yl]penta-2,4-dienoic acid Traditional Name: (2E,4E)-5-[5-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=CC3=C(C=C2)N(C=C3C=CC=CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C=C3/C=C/C=C/C(=O)O)CC(=O)O

InChI

InChI=1S/C22H19NO5/c24-21(25)9-5-4-8-17-13-23(14-22(26)27)20-11-10-18(12-19(17)20)28-15-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,25)(H,26,27)/b8-4+,9-5+