3-[3-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenyl]propanoic acid

Systemtic Name: 3-[3-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[(4-isobutylphenyl)methylamino]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[(4-isobutylbenzyl)amino]methyl]phenyl]propionic acid Formula: C21H27NO2 MolecularWeight: 325.44458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)CNCC2=CC=CC(=C2)CCC(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)CNCC2=CC=CC(=C2)CCC(=O)O

InChI

InChI=1S/C21H27NO2/c1-16(2)12-18-6-8-19(9-7-18)14-22-15-20-5-3-4-17(13-20)10-11-21(23)24/h3-9,13,16,22H,10-12,14-15H2,1-2H3,(H,23,24)