2-oxidanylpropane-1,2,3-tricarboxylate; (E)-4-phenyl-3-[2-(3-piperidin-1-ylpropoxy)phenoxy]but-3-en-2-one

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; (E)-4-phenyl-3-[2-(3-piperidin-1-ylpropoxy)phenoxy]but-3-en-2-one Openeye Name: (E)-4-phenyl-3-[2-[3-(1-piperidyl)propoxy]phenoxy]but-3-en-2-one citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; (E)-4-phenyl-3-[2-[3-(1-piperidinyl)propoxy]phenoxy]-3-buten-2-one IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; (E)-4-phenyl-3-[2-(3-piperidin-1-ylpropoxy)phenoxy]but-3-en-2-one Traditional Name: (E)-4-phenyl-3-[2-(3-piperidinopropoxy)phenoxy]but-3-en-2-one citrate Formula: C30H34NO10-3 MolecularWeight: 568.59166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC=C1)OC2=CC=CC=C2OCCCN3CCCCC3.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CC(=O)/C(=C\C1=CC=CC=C1)/OC2=CC=CC=C2OCCCN3CCCCC3.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C24H29NO3.C6H8O7/c1-20(26)24(19-21-11-4-2-5-12-21)28-23-14-7-6-13-22(23)27-18-10-17-25-15-8-3-9-16-25;7-3(8)1-6(13,5(11)12)2-4(9)10/h2,4-7,11-14,19H,3,8-10,15-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3/b24-19+;