2-azanylethanol; 2-[1-(4-chloranyl-2-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]ethanoic acid

Systemtic Name: 2-azanylethanol; 2-[1-(4-chloranyl-2-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]ethanoic acid Openeye Name: 2-aminoethanol; 2-[1-(4-chloro-2-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]acetic acid CAS Name: 2-aminoethanol; 2-[1-(4-chloro-2-methylphenyl)-2,5-dimethyl-3-pyrrolyl]acetic acid IUPAC Name: 2-aminoethanol; 2-[1-(4-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]acetic acid Traditional Name: 2-aminoethanol; 2-[1-(4-chloro-2-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]acetic acid Formula: C17H23ClN2O3 MolecularWeight: 338.82912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClNO2.C2H7NO/c1-9-6-13(16)4-5-14(9)17-10(2)7-12(11(17)3)8-15(18)19;3-1-2-4/h4-7H,8H2,1-3H3,(H,18,19);4H,1-3H2