(E)-N,2-dimethyl-N-phenyl-but-2-enamide; [(7S,8S)-8-[oxidanyl(diphenyl)methyl]-6,9-dioxaspiro[4.4]nonan-7-yl]-diphenyl-methanol

Systemtic Name: (E)-N,2-dimethyl-N-phenyl-but-2-enamide; [(7S,8S)-8-[oxidanyl(diphenyl)methyl]-6,9-dioxaspiro[4.4]nonan-7-yl]-diphenyl-methanol Openeye Name: (E)-N,2-dimethyl-N-phenyl-but-2-enamide; [(7S,8S)-8-[hydroxy(diphenyl)methyl]-6,9-dioxaspiro[4.4]nonan-7-yl]-diphenyl-methanol CAS Name: (E)-N,2-dimethyl-N-phenyl-2-butenamide; [(7S,8S)-8-[hydroxy(diphenyl)methyl]-6,9-dioxaspiro[4.4]nonan-7-yl]-diphenylmethanol IUPAC Name: (E)-N,2-dimethyl-N-phenylbut-2-enamide; [(7S,8S)-8-[hydroxy(diphenyl)methyl]-6,9-dioxaspiro[4.4]nonan-7-yl]-diphenylmethanol Traditional Name: (E)-N,2-dimethyl-N-phenyl-but-2-enamide; [(7S,8S)-8-[hydroxy(diphenyl)methyl]-6,9-dioxaspiro[4.4]nonan-7-yl]-diphenyl-methanol Formula: C45H47NO5 MolecularWeight: 681.85838

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=O)N(C)C1=CC=CC=C1.C1CCC2(C1)OC(C(O2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C(C5=CC=CC=C5)(C6=CC=CC=C6)O

Isomeric SMILES

C/C=C(\C)/C(=O)N(C)C1=CC=CC=C1.C1CCC2(C1)O[C@@H]([C@H](O2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C(C5=CC=CC=C5)(C6=CC=CC=C6)O

InChI

InChI=1S/C33H32O4.C12H15NO/c34-32(25-15-5-1-6-16-25,26-17-7-2-8-18-26)29-30(37-31(36-29)23-13-14-24-31)33(35,27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-4-10(2)12(14)13(3)11-8-6-5-7-9-11/h1-12,15-22,29-30,34-35H,13-14,23-24H2;4-9H,1-3H3/b;10-4+/t29-,30-;/m0./s1