(3S,6S)-6-(diphenylmethyl)-N-[(4-nitrophenyl)methyl]oxan-3-amine; ethanedioic acid

Systemtic Name: (3S,6S)-6-(diphenylmethyl)-N-[(4-nitrophenyl)methyl]oxan-3-amine; ethanedioic acid Openeye Name: (3S,6S)-6-benzhydryl-N-[(4-nitrophenyl)methyl]tetrahydropyran-3-amine; oxalic acid CAS Name: (3S,6S)-6-(diphenylmethyl)-N-[(4-nitrophenyl)methyl]-3-oxanamine; oxalic acid IUPAC Name: (3S,6S)-6-benzhydryl-N-[(4-nitrophenyl)methyl]oxan-3-amine; oxalic acid Traditional Name: [(3S,6S)-6-benzhydryltetrahydropyran-3-yl]-(4-nitrobenzyl)amine; oxalic acid Formula: C27H28N2O7 MolecularWeight: 492.52042

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OCC1NCC2=CC=C(C=C2)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1C[C@H](OC[C@H]1NCC2=CC=C(C=C2)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H26N2O3.C2H2O4/c28-27(29)23-14-11-19(12-15-23)17-26-22-13-16-24(30-18-22)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21;3-1(4)2(5)6/h1-12,14-15,22,24-26H,13,16-18H2;(H,3,4)(H,5,6)/t22-,24-;/m0./s1