[2-methyl-1-[2-(4-nitrophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-6-yl] N,N-dimethylcarbamate

Systemtic Name: [2-methyl-1-[2-(4-nitrophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-6-yl] N,N-dimethylcarbamate Openeye Name: [2-methyl-1-[2-(4-nitrophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-6-yl] N,N-dimethylcarbamate CAS Name: N,N-dimethylcarbamic acid [2-methyl-1-[2-(4-nitrophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-6-yl] ester IUPAC Name: [2-methyl-1-[2-(4-nitrophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-6-yl] N,N-dimethylcarbamate Traditional Name: N,N-dimethylcarbamic acid [2-methyl-1-[2-(4-nitrophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-6-yl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1CCOC3=CC=C(C=C3)[N+](=O)[O-])C=CC(=C2)OC(=O)N(C)C

Isomeric SMILES

CN1CCC2=C(C1CCOC3=CC=C(C=C3)[N+](=O)[O-])C=CC(=C2)OC(=O)N(C)C

InChI

InChI=1S/C21H25N3O5/c1-22(2)21(25)29-18-8-9-19-15(14-18)10-12-23(3)20(19)11-13-28-17-6-4-16(5-7-17)24(26)27/h4-9,14,20H,10-13H2,1-3H3