4-[[2-(5-phenylmethoxyindol-1-yl)ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-(5-phenylmethoxyindol-1-yl)ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(5-benzyloxyindol-1-yl)acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[1-oxo-2-(5-phenylmethoxy-1-indolyl)ethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(5-phenylmethoxyindol-1-yl)acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(5-benzoxyindol-1-yl)acetyl]amino]methyl]benzoic acid Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C=C3)CC(=O)NCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C=C3)CC(=O)NCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H22N2O4/c28-24(26-15-18-6-8-20(9-7-18)25(29)30)16-27-13-12-21-14-22(10-11-23(21)27)31-17-19-4-2-1-3-5-19/h1-14H,15-17H2,(H,26,28)(H,29,30)