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

Systemtic Name: 4-[1-azanyl-3-[5-chloranyl-2-(dipropylamino)phenyl]-1-oxidanylidene-butan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[5-chloro-2-(dipropylamino)phenyl]propyl]benzoic acid CAS Name: 4-[1-amino-3-[5-chloro-2-(dipropylamino)phenyl]-1-oxobutan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-[5-chloro-2-(dipropylamino)phenyl]-1-oxobutan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-[5-chloro-2-(dipropylamino)phenyl]propyl]benzoic acid Formula: C23H29ClN2O3 MolecularWeight: 416.94096

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=C(C=C(C=C1)Cl)C(C)C(C2=CC=C(C=C2)C(=O)O)C(=O)N

Isomeric SMILES

CCCN(CCC)C1=C(C=C(C=C1)Cl)C(C)C(C2=CC=C(C=C2)C(=O)O)C(=O)N

InChI

InChI=1S/C23H29ClN2O3/c1-4-12-26(13-5-2)20-11-10-18(24)14-19(20)15(3)21(22(25)27)16-6-8-17(9-7-16)23(28)29/h6-11,14-15,21H,4-5,12-13H2,1-3H3,(H2,25,27)(H,28,29)