2-[2-methoxycarbonyl-4-(3-methylbutanoylamino)phenyl]-5-phenylmethoxy-benzoic acid

Systemtic Name: 2-[2-methoxycarbonyl-4-(3-methylbutanoylamino)phenyl]-5-phenylmethoxy-benzoic acid Openeye Name: 5-benzyloxy-2-[2-methoxycarbonyl-4-(3-methylbutanoylamino)phenyl]benzoic acid CAS Name: 2-[2-methoxycarbonyl-4-[(3-methyl-1-oxobutyl)amino]phenyl]-5-phenylmethoxybenzoic acid IUPAC Name: 2-[2-methoxycarbonyl-4-(3-methylbutanoylamino)phenyl]-5-phenylmethoxybenzoic acid Traditional Name: 5-benzoxy-2-[2-carbomethoxy-4-(isovalerylamino)phenyl]benzoic acid Formula: C27H27NO6 MolecularWeight: 461.50638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)C(=O)O)C(=O)OC

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)C(=O)O)C(=O)OC

InChI

InChI=1S/C27H27NO6/c1-17(2)13-25(29)28-19-9-11-22(24(14-19)27(32)33-3)21-12-10-20(15-23(21)26(30)31)34-16-18-7-5-4-6-8-18/h4-12,14-15,17H,13,16H2,1-3H3,(H,28,29)(H,30,31)