3,4-bis(2-phenylbutanoylamino)benzoic acid

Systemtic Name: 3,4-bis(2-phenylbutanoylamino)benzoic acid Openeye Name: 3,4-bis(2-phenylbutanoylamino)benzoic acid CAS Name: 3,4-bis[(1-oxo-2-phenylbutyl)amino]benzoic acid IUPAC Name: 3,4-bis(2-phenylbutanoylamino)benzoic acid Traditional Name: 3,4-bis(2-phenylbutanoylamino)benzoic acid Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)C(CC)C3=CC=CC=C3

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)C(CC)C3=CC=CC=C3

InChI

InChI=1S/C27H28N2O4/c1-3-21(18-11-7-5-8-12-18)25(30)28-23-16-15-20(27(32)33)17-24(23)29-26(31)22(4-2)19-13-9-6-10-14-19/h5-17,21-22H,3-4H2,1-2H3,(H,28,30)(H,29,31)(H,32,33)