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

Systemtic Name: ethyl 3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC(C)(C)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC(C)(C)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O5/c1-4-31-22(28)19-11-18(12-20(13-19)26(29)30)21(27)24-15-23(2,3)25-10-9-16-7-5-6-8-17(16)14-25/h5-8,11-13H,4,9-10,14-15H2,1-3H3,(H,24,27)