3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]methanone; ethanedioic acid

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]methanone; ethanedioic acid Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-nitrophenyl)methyl]-3-piperidyl]methanone; oxalic acid CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-nitrophenyl)methyl]-3-piperidinyl]methanone; oxalic acid IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]methanone; oxalic acid Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-nitrobenzyl)-3-piperidyl]methanone; oxalic acid Formula: C24H27N3O7 MolecularWeight: 469.48708

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)N3CCC4=CC=CC=C4C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CN(C1)CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)N3CCC4=CC=CC=C4C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H25N3O3.C2H2O4/c26-22(24-12-10-18-6-1-2-7-19(18)16-24)20-8-4-11-23(15-20)14-17-5-3-9-21(13-17)25(27)28;3-1(4)2(5)6/h1-3,5-7,9,13,20H,4,8,10-12,14-16H2;(H,3,4)(H,5,6)