3-(2-azanylethyl)-1H-indol-5-ol; benzoic acid; ethanoic acid

Systemtic Name: 3-(2-azanylethyl)-1H-indol-5-ol; benzoic acid; ethanoic acid Openeye Name: acetic acid; 3-(2-aminoethyl)-1H-indol-5-ol; benzoic acid CAS Name: acetic acid; 3-(2-aminoethyl)-1H-indol-5-ol; benzoic acid IUPAC Name: acetic acid; 3-(2-aminoethyl)-1H-indol-5-ol; benzoic acid Traditional Name: acetic acid; 3-(2-aminoethyl)-1H-indol-5-ol; benzoic acid Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC2=C(C=C1O)C(=CN2)CCN

Isomeric SMILES

CC(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC2=C(C=C1O)C(=CN2)CCN

InChI

InChI=1S/C10H12N2O.C7H6O2.C2H4O2/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;8-7(9)6-4-2-1-3-5-6;1-2(3)4/h1-2,5-6,12-13H,3-4,11H2;1-5H,(H,8,9);1H3,(H,3,4)