[2-(4-ethoxy-6-isocyano-1,2,3,4-tetrahydroquinolin-2-yl)-2-methyl-propyl] 4-ethoxybenzoate

Systemtic Name: [2-(4-ethoxy-6-isocyano-1,2,3,4-tetrahydroquinolin-2-yl)-2-methyl-propyl] 4-ethoxybenzoate Openeye Name: [2-(4-ethoxy-6-isocyano-1,2,3,4-tetrahydroquinolin-2-yl)-2-methyl-propyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [2-(4-ethoxy-6-isocyano-1,2,3,4-tetrahydroquinolin-2-yl)-2-methylpropyl] ester IUPAC Name: [2-(4-ethoxy-6-isocyano-1,2,3,4-tetrahydroquinolin-2-yl)-2-methylpropyl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [2-(4-ethoxy-6-isocyano-1,2,3,4-tetrahydroquinolin-2-yl)-2-methyl-propyl] ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CC(NC2=C1C=C(C=C2)[N+]#[C-])C(C)(C)COC(=O)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCOC1CC(NC2=C1C=C(C=C2)[N+]#[C-])C(C)(C)COC(=O)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C25H30N2O4/c1-6-29-19-11-8-17(9-12-19)24(28)31-16-25(3,4)23-15-22(30-7-2)20-14-18(26-5)10-13-21(20)27-23/h8-14,22-23,27H,6-7,15-16H2,1-4H3