(E)-3-[6-methoxy-7-oxidanyl-1-(phenylmethyl)indol-4-yl]-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-[6-methoxy-7-oxidanyl-1-(phenylmethyl)indol-4-yl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-(1-benzyl-7-hydroxy-6-methoxy-indol-4-yl)-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[7-hydroxy-6-methoxy-1-(phenylmethyl)-4-indolyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-(1-benzyl-7-hydroxy-6-methoxyindol-4-yl)-2-methylprop-2-enoic acid Traditional Name: (E)-3-(1-benzyl-7-hydroxy-6-methoxy-indol-4-yl)-2-methyl-acrylic acid Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=C(C2=C1C=CN2CC3=CC=CC=C3)O)OC)C(=O)O

Isomeric SMILES

C/C(=C\C1=CC(=C(C2=C1C=CN2CC3=CC=CC=C3)O)OC)/C(=O)O

InChI

InChI=1S/C20H19NO4/c1-13(20(23)24)10-15-11-17(25-2)19(22)18-16(15)8-9-21(18)12-14-6-4-3-5-7-14/h3-11,22H,12H2,1-2H3,(H,23,24)/b13-10+