4-methyl-2-[2-(7-phenylmethoxy-1H-indol-3-yl)ethanoylamino]benzoic acid

Systemtic Name: 4-methyl-2-[2-(7-phenylmethoxy-1H-indol-3-yl)ethanoylamino]benzoic acid Openeye Name: 2-[[2-(7-benzyloxy-1H-indol-3-yl)acetyl]amino]-4-methyl-benzoic acid CAS Name: 4-methyl-2-[[1-oxo-2-(7-phenylmethoxy-1H-indol-3-yl)ethyl]amino]benzoic acid IUPAC Name: 4-methyl-2-[[2-(7-phenylmethoxy-1H-indol-3-yl)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(7-benzoxy-1H-indol-3-yl)acetyl]amino]-4-methyl-benzoic acid Formula: C25H22N2O4 MolecularWeight: 414.45318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)NC(=O)CC2=CNC3=C2C=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)NC(=O)CC2=CNC3=C2C=CC=C3OCC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O4/c1-16-10-11-20(25(29)30)21(12-16)27-23(28)13-18-14-26-24-19(18)8-5-9-22(24)31-15-17-6-3-2-4-7-17/h2-12,14,26H,13,15H2,1H3,(H,27,28)(H,29,30)