2-[(4-carboxyphenyl)methyl]-4-propan-2-yl-benzoic acid; heptanamide

Systemtic Name: 2-[(4-carboxyphenyl)methyl]-4-propan-2-yl-benzoic acid; heptanamide Openeye Name: 2-[(4-carboxyphenyl)methyl]-4-isopropyl-benzoic acid; heptanamide CAS Name: 2-[(4-carboxyphenyl)methyl]-4-propan-2-ylbenzoic acid; heptanamide IUPAC Name: 2-[(4-carboxyphenyl)methyl]-4-propan-2-ylbenzoic acid; heptanamide Traditional Name: 2-(4-carboxybenzyl)-4-isopropyl-benzoic acid; enanthamide Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N.CC(C)C1=CC(=C(C=C1)C(=O)O)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCC(=O)N.CC(C)C1=CC(=C(C=C1)C(=O)O)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H18O4.C7H15NO/c1-11(2)14-7-8-16(18(21)22)15(10-14)9-12-3-5-13(6-4-12)17(19)20;1-2-3-4-5-6-7(8)9/h3-8,10-11H,9H2,1-2H3,(H,19,20)(H,21,22);2-6H2,1H3,(H2,8,9)