methyl 3-[5-(2-azanylethyl)-3-(imidazol-1-ylmethyl)-2-methyl-indol-1-yl]propanoate

Systemtic Name: methyl 3-[5-(2-azanylethyl)-3-(imidazol-1-ylmethyl)-2-methyl-indol-1-yl]propanoate Openeye Name: methyl 3-[5-(2-aminoethyl)-3-(imidazol-1-ylmethyl)-2-methyl-indol-1-yl]propanoate CAS Name: 3-[5-(2-aminoethyl)-3-(1-imidazolylmethyl)-2-methyl-1-indolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-(2-aminoethyl)-3-(imidazol-1-ylmethyl)-2-methylindol-1-yl]propanoate Traditional Name: 3-[5-(2-aminoethyl)-3-(imidazol-1-ylmethyl)-2-methyl-indol-1-yl]propionic acid methyl ester Formula: C19H24N4O2 MolecularWeight: 340.41946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CCC(=O)OC)C=CC(=C2)CCN)CN3C=CN=C3

Isomeric SMILES

CC1=C(C2=C(N1CCC(=O)OC)C=CC(=C2)CCN)CN3C=CN=C3

InChI

InChI=1S/C19H24N4O2/c1-14-17(12-22-10-8-21-13-22)16-11-15(5-7-20)3-4-18(16)23(14)9-6-19(24)25-2/h3-4,8,10-11,13H,5-7,9,12,20H2,1-2H3