3-[[3-(2-azanylethyl)-1-[(4-carboxyphenyl)methyl]indol-5-yl]oxymethyl]benzoic acid

Systemtic Name: 3-[[3-(2-azanylethyl)-1-[(4-carboxyphenyl)methyl]indol-5-yl]oxymethyl]benzoic acid Openeye Name: 3-[[3-(2-aminoethyl)-1-[(4-carboxyphenyl)methyl]indol-5-yl]oxymethyl]benzoic acid CAS Name: 3-[[3-(2-aminoethyl)-1-[(4-carboxyphenyl)methyl]-5-indolyl]oxymethyl]benzoic acid IUPAC Name: 3-[[3-(2-aminoethyl)-1-[(4-carboxyphenyl)methyl]indol-5-yl]oxymethyl]benzoic acid Traditional Name: 3-[[3-(2-aminoethyl)-1-(4-carboxybenzyl)indol-5-yl]oxymethyl]benzoic acid Formula: C26H24N2O5 MolecularWeight: 444.47916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC2=CC3=C(C=C2)N(C=C3CCN)CC4=CC=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)COC2=CC3=C(C=C2)N(C=C3CCN)CC4=CC=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C26H24N2O5/c27-11-10-21-15-28(14-17-4-6-19(7-5-17)25(29)30)24-9-8-22(13-23(21)24)33-16-18-2-1-3-20(12-18)26(31)32/h1-9,12-13,15H,10-11,14,16,27H2,(H,29,30)(H,31,32)