methyl 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)(CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H25N3O5/c1-22(2,24-9-8-15-6-4-5-7-16(15)13-24)14-23-20(26)17-10-18(21(27)30-3)12-19(11-17)25(28)29/h4-7,10-12H,8-9,13-14H2,1-3H3,(H,23,26)