2-azanylethanol; 3-(2-methyl-5-phenyl-pyrrol-1-yl)benzoic acid

Systemtic Name: 2-azanylethanol; 3-(2-methyl-5-phenyl-pyrrol-1-yl)benzoic acid Openeye Name: 2-aminoethanol; 3-(2-methyl-5-phenyl-pyrrol-1-yl)benzoic acid CAS Name: 2-aminoethanol; 3-(2-methyl-5-phenyl-1-pyrrolyl)benzoic acid IUPAC Name: 2-aminoethanol; 3-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid Traditional Name: 2-aminoethanol; 3-(2-methyl-5-phenyl-pyrrol-1-yl)benzoic acid Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3.C(CO)N

Isomeric SMILES

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3.C(CO)N

InChI

InChI=1S/C18H15NO2.C2H7NO/c1-13-10-11-17(14-6-3-2-4-7-14)19(13)16-9-5-8-15(12-16)18(20)21;3-1-2-4/h2-12H,1H3,(H,20,21);4H,1-3H2