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

Systemtic Name: 4-[[3-(2-azanylethyl)-1-(carboxymethyl)indol-5-yl]oxymethyl]benzoic acid Openeye Name: 4-[[3-(2-aminoethyl)-1-(carboxymethyl)indol-5-yl]oxymethyl]benzoic acid CAS Name: 4-[[3-(2-aminoethyl)-1-(carboxymethyl)-5-indolyl]oxymethyl]benzoic acid IUPAC Name: 4-[[3-(2-aminoethyl)-1-(carboxymethyl)indol-5-yl]oxymethyl]benzoic acid Traditional Name: 4-[[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=C1COC2=CC3=C(C=C2)N(C=C3CCN)CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1COC2=CC3=C(C=C2)N(C=C3CCN)CC(=O)O)C(=O)O

InChI

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