2-butoxycarbonyl-4-[(3-butoxycarbonyl-4-carboxy-phenyl)methyl]benzoic acid

Systemtic Name: 2-butoxycarbonyl-4-[(3-butoxycarbonyl-4-carboxy-phenyl)methyl]benzoic acid Openeye Name: 2-butoxycarbonyl-4-[(3-butoxycarbonyl-4-carboxy-phenyl)methyl]benzoic acid CAS Name: 2-[butoxy(oxo)methyl]-4-[[3-[butoxy(oxo)methyl]-4-carboxyphenyl]methyl]benzoic acid IUPAC Name: 2-butoxycarbonyl-4-[(3-butoxycarbonyl-4-carboxyphenyl)methyl]benzoic acid Traditional Name: 2-butoxycarbonyl-4-(3-butoxycarbonyl-4-carboxy-benzyl)benzoic acid Formula: C25H28O8 MolecularWeight: 456.48502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=CC(=C1)CC2=CC(=C(C=C2)C(=O)O)C(=O)OCCCC)C(=O)O

Isomeric SMILES

CCCCOC(=O)C1=C(C=CC(=C1)CC2=CC(=C(C=C2)C(=O)O)C(=O)OCCCC)C(=O)O

InChI

InChI=1S/C25H28O8/c1-3-5-11-32-24(30)20-14-16(7-9-18(20)22(26)27)13-17-8-10-19(23(28)29)21(15-17)25(31)33-12-6-4-2/h7-10,14-15H,3-6,11-13H2,1-2H3,(H,26,27)(H,28,29)