3-[[3-(2-azanylethyl)-1-(carboxymethyl)indol-5-yl]oxymethyl]benzoic acid

Systemtic Name: 3-[[3-(2-azanylethyl)-1-(carboxymethyl)indol-5-yl]oxymethyl]benzoic acid Openeye Name: 3-[[3-(2-aminoethyl)-1-(carboxymethyl)indol-5-yl]oxymethyl]benzoic acid CAS Name: 3-[[3-(2-aminoethyl)-1-(carboxymethyl)-5-indolyl]oxymethyl]benzoic acid IUPAC Name: 3-[[3-(2-aminoethyl)-1-(carboxymethyl)indol-5-yl]oxymethyl]benzoic acid Traditional Name: 3-[[3-(2-aminoethyl)-1-(carboxymethyl)indol-5-yl]oxymethyl]benzoic acid Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5/c21-7-6-15-10-22(11-19(23)24)18-5-4-16(9-17(15)18)27-12-13-2-1-3-14(8-13)20(25)26/h1-5,8-10H,6-7,11-12,21H2,(H,23,24)(H,25,26)