N-methylmethanamine; 2-[3-(3-methylphenoxy)propyl]isoindole-1,3-dione

Systemtic Name: N-methylmethanamine; 2-[3-(3-methylphenoxy)propyl]isoindole-1,3-dione Openeye Name: N-methylmethanamine; 2-[3-(3-methylphenoxy)propyl]isoindoline-1,3-dione CAS Name: N-methylmethanamine; 2-[3-(3-methylphenoxy)propyl]isoindole-1,3-dione IUPAC Name: N-methylmethanamine; 2-[3-(3-methylphenoxy)propyl]isoindole-1,3-dione Traditional Name: dimethylamine; 2-[3-(3-methylphenoxy)propyl]isoindoline-1,3-quinone Formula: C20H24N2O3 MolecularWeight: 340.41616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCN2C(=O)C3=CC=CC=C3C2=O.CNC

Isomeric SMILES

CC1=CC(=CC=C1)OCCCN2C(=O)C3=CC=CC=C3C2=O.CNC

InChI

InChI=1S/C18H17NO3.C2H7N/c1-13-6-4-7-14(12-13)22-11-5-10-19-17(20)15-8-2-3-9-16(15)18(19)21;1-3-2/h2-4,6-9,12H,5,10-11H2,1H3;3H,1-2H3