(E)-but-2-enedioic acid; 3-methyl-4-methylidene-8-(phenylmethyl)-2-oxa-3,8-diazaspiro[4.5]decane

Systemtic Name: (E)-but-2-enedioic acid; 3-methyl-4-methylidene-8-(phenylmethyl)-2-oxa-3,8-diazaspiro[4.5]decane Openeye Name: 8-benzyl-3-methyl-4-methylene-2-oxa-3,8-diazaspiro[4.5]decane; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-methyl-4-methylene-8-(phenylmethyl)-2-oxa-3,8-diazaspiro[4.5]decane IUPAC Name: 8-benzyl-3-methyl-4-methylidene-2-oxa-3,8-diazaspiro[4.5]decane; (E)-but-2-enedioic acid Traditional Name: 8-benzyl-3-methyl-4-methylene-2-oxa-3,8-diazaspiro[4.5]decane; fumaric acid Formula: C20H26N2O5 MolecularWeight: 374.43084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C)C2(CCN(CC2)CC3=CC=CC=C3)CO1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C(=C)C2(CCN(CC2)CC3=CC=CC=C3)CO1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H22N2O.C4H4O4/c1-14-16(13-19-17(14)2)8-10-18(11-9-16)12-15-6-4-3-5-7-15;5-3(6)1-2-4(7)8/h3-7H,1,8-13H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+