4-[3-(cyclohexylamino)-2-(cyclohexylcarbamoyl)-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[3-(cyclohexylamino)-2-(cyclohexylcarbamoyl)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[3-(cyclohexylamino)-2-(cyclohexylcarbamoyl)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[3-(cyclohexylamino)-2-[(cyclohexylamino)-oxomethyl]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[3-(cyclohexylamino)-2-(cyclohexylcarbamoyl)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[3-(cyclohexylamino)-2-(cyclohexylcarbamoyl)-3-keto-prop-1-enyl]benzoic acid Formula: C23H30N2O4 MolecularWeight: 398.4953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(=CC2=CC=C(C=C2)C(=O)O)C(=O)NC3CCCCC3

Isomeric SMILES

C1CCC(CC1)NC(=O)C(=CC2=CC=C(C=C2)C(=O)O)C(=O)NC3CCCCC3

InChI

InChI=1S/C23H30N2O4/c26-21(24-18-7-3-1-4-8-18)20(22(27)25-19-9-5-2-6-10-19)15-16-11-13-17(14-12-16)23(28)29/h11-15,18-19H,1-10H2,(H,24,26)(H,25,27)(H,28,29)