4-[1-azanyl-3-[5-chloranyl-2-(dibutylamino)phenyl]-1-oxidanylidene-butan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-3-[5-chloranyl-2-(dibutylamino)phenyl]-1-oxidanylidene-butan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[5-chloro-2-(dibutylamino)phenyl]propyl]benzoic acid CAS Name: 4-[1-amino-3-[5-chloro-2-(dibutylamino)phenyl]-1-oxobutan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-[5-chloro-2-(dibutylamino)phenyl]-1-oxobutan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-[5-chloro-2-(dibutylamino)phenyl]propyl]benzoic acid Formula: C25H33ClN2O3 MolecularWeight: 444.99412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=C(C=C(C=C1)Cl)C(C)C(C2=CC=C(C=C2)C(=O)O)C(=O)N

Isomeric SMILES

CCCCN(CCCC)C1=C(C=C(C=C1)Cl)C(C)C(C2=CC=C(C=C2)C(=O)O)C(=O)N

InChI

InChI=1S/C25H33ClN2O3/c1-4-6-14-28(15-7-5-2)22-13-12-20(26)16-21(22)17(3)23(24(27)29)18-8-10-19(11-9-18)25(30)31/h8-13,16-17,23H,4-7,14-15H2,1-3H3,(H2,27,29)(H,30,31)