(E)-3-[2-methyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-methyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-(1-benzyl-2-methyl-3-oxamoyl-indol-4-yl)prop-2-enoic acid CAS Name: (E)-3-[2-methyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]-2-propenoic acid IUPAC Name: (E)-3-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)prop-2-enoic acid Traditional Name: (E)-3-(1-benzyl-2-methyl-3-oxamoyl-indol-4-yl)acrylic acid Formula: C21H18N2O4 MolecularWeight: 362.37862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC=C2N1CC3=CC=CC=C3)C=CC(=O)O)C(=O)C(=O)N

Isomeric SMILES

CC1=C(C2=C(C=CC=C2N1CC3=CC=CC=C3)/C=C/C(=O)O)C(=O)C(=O)N

InChI

InChI=1S/C21H18N2O4/c1-13-18(20(26)21(22)27)19-15(10-11-17(24)25)8-5-9-16(19)23(13)12-14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H2,22,27)(H,24,25)/b11-10+