(3S,6S)-6-(diphenylmethyl)-N-(1H-indol-5-ylmethyl)oxan-3-amine; ethanedioic acid

Systemtic Name: (3S,6S)-6-(diphenylmethyl)-N-(1H-indol-5-ylmethyl)oxan-3-amine; ethanedioic acid Openeye Name: (3S,6S)-6-benzhydryl-N-(1H-indol-5-ylmethyl)tetrahydropyran-3-amine; oxalic acid CAS Name: (3S,6S)-6-(diphenylmethyl)-N-(1H-indol-5-ylmethyl)-3-oxanamine; oxalic acid IUPAC Name: (3S,6S)-6-benzhydryl-N-(1H-indol-5-ylmethyl)oxan-3-amine; oxalic acid Traditional Name: [(3S,6S)-6-benzhydryltetrahydropyran-3-yl]-(1H-indol-5-ylmethyl)amine; oxalic acid Formula: C29H30N2O5 MolecularWeight: 486.5589

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OCC1NCC2=CC3=C(C=C2)NC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1C[C@H](OC[C@H]1NCC2=CC3=C(C=C2)NC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H28N2O.C2H2O4/c1-3-7-21(8-4-1)27(22-9-5-2-6-10-22)26-14-12-24(19-30-26)29-18-20-11-13-25-23(17-20)15-16-28-25;3-1(4)2(5)6/h1-11,13,15-17,24,26-29H,12,14,18-19H2;(H,3,4)(H,5,6)/t24-,26-;/m0./s1