4-methyl-2-[2-(5-phenylmethoxy-1H-indol-3-yl)ethanoylamino]benzoic acid

Systemtic Name: 4-methyl-2-[2-(5-phenylmethoxy-1H-indol-3-yl)ethanoylamino]benzoic acid Openeye Name: 2-[[2-(5-benzyloxy-1H-indol-3-yl)acetyl]amino]-4-methyl-benzoic acid CAS Name: 4-methyl-2-[[1-oxo-2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]amino]benzoic acid IUPAC Name: 4-methyl-2-[[2-(5-phenylmethoxy-1H-indol-3-yl)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(5-benzoxy-1H-indol-3-yl)acetyl]amino]-4-methyl-benzoic acid Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)NC(=O)CC2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)NC(=O)CC2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4

InChI

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