5-[3-carboxy-4-(3-cyclohexylpropanoylamino)phenyl]-2-(3-cyclohexylpropanoylamino)benzoic acid

Systemtic Name: 5-[3-carboxy-4-(3-cyclohexylpropanoylamino)phenyl]-2-(3-cyclohexylpropanoylamino)benzoic acid Openeye Name: 5-[3-carboxy-4-(3-cyclohexylpropanoylamino)phenyl]-2-(3-cyclohexylpropanoylamino)benzoic acid CAS Name: 5-[3-carboxy-4-[(3-cyclohexyl-1-oxopropyl)amino]phenyl]-2-[(3-cyclohexyl-1-oxopropyl)amino]benzoic acid IUPAC Name: 5-[3-carboxy-4-(3-cyclohexylpropanoylamino)phenyl]-2-(3-cyclohexylpropanoylamino)benzoic acid Traditional Name: 5-[3-carboxy-4-(3-cyclohexylpropanoylamino)phenyl]-2-(3-cyclohexylpropanoylamino)benzoic acid Formula: C32H40N2O6 MolecularWeight: 548.6698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC2=C(C=C(C=C2)C3=CC(=C(C=C3)NC(=O)CCC4CCCCC4)C(=O)O)C(=O)O

Isomeric SMILES

C1CCC(CC1)CCC(=O)NC2=C(C=C(C=C2)C3=CC(=C(C=C3)NC(=O)CCC4CCCCC4)C(=O)O)C(=O)O

InChI

InChI=1S/C32H40N2O6/c35-29(17-11-21-7-3-1-4-8-21)33-27-15-13-23(19-25(27)31(37)38)24-14-16-28(26(20-24)32(39)40)34-30(36)18-12-22-9-5-2-6-10-22/h13-16,19-22H,1-12,17-18H2,(H,33,35)(H,34,36)(H,37,38)(H,39,40)