ethanedioic acid; 4-methoxy-3-[9-(phenylmethyl)-4-oxa-9-azaspiro[4.5]dec-1-en-2-yl]benzenecarbonitrile

Systemtic Name: ethanedioic acid; 4-methoxy-3-[9-(phenylmethyl)-4-oxa-9-azaspiro[4.5]dec-1-en-2-yl]benzenecarbonitrile Openeye Name: 3-(9-benzyl-4-oxa-9-azaspiro[4.5]dec-1-en-2-yl)-4-methoxy-benzonitrile; oxalic acid CAS Name: 4-methoxy-3-[9-(phenylmethyl)-4-oxa-9-azaspiro[4.5]dec-1-en-2-yl]benzonitrile; oxalic acid IUPAC Name: 3-(9-benzyl-4-oxa-9-azaspiro[4.5]dec-1-en-2-yl)-4-methoxybenzonitrile; oxalic acid Traditional Name: 3-(9-benzyl-4-oxa-9-azaspiro[4.5]dec-1-en-2-yl)-4-methoxy-benzonitrile; oxalic acid Formula: C25H26N2O6 MolecularWeight: 450.48374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C#N)C2=CC3(CCCN(C3)CC4=CC=CC=C4)OC2.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C#N)C2=CC3(CCCN(C3)CC4=CC=CC=C4)OC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H24N2O2.C2H2O4/c1-26-22-9-8-19(14-24)12-21(22)20-13-23(27-16-20)10-5-11-25(17-23)15-18-6-3-2-4-7-18;3-1(4)2(5)6/h2-4,6-9,12-13H,5,10-11,15-17H2,1H3;(H,3,4)(H,5,6)