4-[5-(4-chlorophenyl)pentan-2-ylamino]benzoic acid

Systemtic Name: 4-[5-(4-chlorophenyl)pentan-2-ylamino]benzoic acid Openeye Name: 4-[[4-(4-chlorophenyl)-1-methyl-butyl]amino]benzoic acid CAS Name: 4-[5-(4-chlorophenyl)pentan-2-ylamino]benzoic acid IUPAC Name: 4-[5-(4-chlorophenyl)pentan-2-ylamino]benzoic acid Traditional Name: 4-[[4-(4-chlorophenyl)-1-methyl-butyl]amino]benzoic acid Formula: C18H20ClNO2 MolecularWeight: 317.8099

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=C(C=C1)Cl)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(CCCC1=CC=C(C=C1)Cl)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H20ClNO2/c1-13(3-2-4-14-5-9-16(19)10-6-14)20-17-11-7-15(8-12-17)18(21)22/h5-13,20H,2-4H2,1H3,(H,21,22)