4-[(4-heptoxyphenyl)methylamino]benzoic acid

Systemtic Name: 4-[(4-heptoxyphenyl)methylamino]benzoic acid Openeye Name: 4-[(4-heptoxyphenyl)methylamino]benzoic acid CAS Name: 4-[(4-heptoxyphenyl)methylamino]benzoic acid IUPAC Name: 4-[(4-heptoxyphenyl)methylamino]benzoic acid Traditional Name: 4-[(4-heptoxybenzyl)amino]benzoic acid Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)CNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)CNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H27NO3/c1-2-3-4-5-6-15-25-20-13-7-17(8-14-20)16-22-19-11-9-18(10-12-19)21(23)24/h7-14,22H,2-6,15-16H2,1H3,(H,23,24)