2-[[5-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]indol-1-yl]methyl]benzoic acid

Systemtic Name: 2-[[5-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]indol-1-yl]methyl]benzoic acid Openeye Name: 2-[[5-[2-(benzylamino)-2-oxo-ethoxy]indol-1-yl]methyl]benzoic acid CAS Name: 2-[[5-[2-oxo-2-[(phenylmethyl)amino]ethoxy]-1-indolyl]methyl]benzoic acid IUPAC Name: 2-[[5-[2-(benzylamino)-2-oxoethoxy]indol-1-yl]methyl]benzoic acid Traditional Name: 2-[[5-[2-(benzylamino)-2-keto-ethoxy]indol-1-yl]methyl]benzoic acid Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)COC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)COC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4C(=O)O

InChI

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