2-(4-hydroxyphenyl)carbonylbenzoate; (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-2-(3,4-dimethoxyphenyl)-3-phenyl-prop-2-enoate

Systemtic Name: 2-(4-hydroxyphenyl)carbonylbenzoate; (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-2-(3,4-dimethoxyphenyl)-3-phenyl-prop-2-enoate Openeye Name: 2-(4-hydroxybenzoyl)benzoate; (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-2-(3,4-dimethoxyphenyl)-3-phenyl-prop-2-enoate CAS Name: (E)-2-(3,4-dimethoxyphenyl)-3-phenyl-2-propenoic acid (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester; 2-[(4-hydroxyphenyl)-oxomethyl]benzoate IUPAC Name: 2-(4-hydroxybenzoyl)benzoate; (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-2-(3,4-dimethoxyphenyl)-3-phenylprop-2-enoate Traditional Name: (E)-2-(3,4-dimethoxyphenyl)-3-phenyl-acrylic acid (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester; 2-(4-hydroxybenzoyl)benzoate Formula: C39H39NO8 MolecularWeight: 649.72886

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2CCC1CC(C2)OC(=O)C(=CC3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC.C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)O)C(=O)[O-]

Isomeric SMILES

C[NH+]1C2CCC1CC(C2)OC(=O)/C(=C/C3=CC=CC=C3)/C4=CC(=C(C=C4)OC)OC.C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)O)C(=O)[O-]

InChI

InChI=1S/C25H29NO4.C14H10O4/c1-26-19-10-11-20(26)16-21(15-19)30-25(27)22(13-17-7-5-4-6-8-17)18-9-12-23(28-2)24(14-18)29-3;15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h4-9,12-14,19-21H,10-11,15-16H2,1-3H3;1-8,15H,(H,17,18)/b22-13+;