N-methylmethanamine; 2-[4-(3-propylphenoxy)butyl]isoindole-1,3-dione

Systemtic Name: N-methylmethanamine; 2-[4-(3-propylphenoxy)butyl]isoindole-1,3-dione Openeye Name: N-methylmethanamine; 2-[4-(3-propylphenoxy)butyl]isoindoline-1,3-dione CAS Name: N-methylmethanamine; 2-[4-(3-propylphenoxy)butyl]isoindole-1,3-dione IUPAC Name: N-methylmethanamine; 2-[4-(3-propylphenoxy)butyl]isoindole-1,3-dione Traditional Name: dimethylamine; 2-[4-(3-propylphenoxy)butyl]isoindoline-1,3-quinone Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC=C1)OCCCCN2C(=O)C3=CC=CC=C3C2=O.CNC

Isomeric SMILES

CCCC1=CC(=CC=C1)OCCCCN2C(=O)C3=CC=CC=C3C2=O.CNC

InChI

InChI=1S/C21H23NO3.C2H7N/c1-2-8-16-9-7-10-17(15-16)25-14-6-5-13-22-20(23)18-11-3-4-12-19(18)21(22)24;1-3-2/h3-4,7,9-12,15H,2,5-6,8,13-14H2,1H3;3H,1-2H3