4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzoic acid

Systemtic Name: 4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzoic acid Openeye Name: 4-[[(4-isopropylphenyl)methylamino]methyl]benzoic acid CAS Name: 4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzoic acid IUPAC Name: 4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzoic acid Traditional Name: 4-[[(4-isopropylbenzyl)amino]methyl]benzoic acid Formula: C18H21NO2 MolecularWeight: 283.36484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CNCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CNCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H21NO2/c1-13(2)16-7-3-14(4-8-16)11-19-12-15-5-9-17(10-6-15)18(20)21/h3-10,13,19H,11-12H2,1-2H3,(H,20,21)