4-[(4-carboxy-3,7-dimethyl-octanoyl)amino]benzoic acid

Systemtic Name: 4-[(4-carboxy-3,7-dimethyl-octanoyl)amino]benzoic acid Openeye Name: 4-[(4-carboxy-3,7-dimethyl-octanoyl)amino]benzoic acid CAS Name: 4-[(4-carboxy-3,7-dimethyl-1-oxooctyl)amino]benzoic acid IUPAC Name: 4-[(4-carboxy-3,7-dimethyloctanoyl)amino]benzoic acid Traditional Name: 4-[(4-carboxy-3,7-dimethyl-octanoyl)amino]benzoic acid Formula: C18H25NO5 MolecularWeight: 335.3948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C(C)CC(=O)NC1=CC=C(C=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CCC(C(C)CC(=O)NC1=CC=C(C=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C18H25NO5/c1-11(2)4-9-15(18(23)24)12(3)10-16(20)19-14-7-5-13(6-8-14)17(21)22/h5-8,11-12,15H,4,9-10H2,1-3H3,(H,19,20)(H,21,22)(H,23,24)