benzoic acid; methyl 4-[(pentylamino)methyl]benzoate

Systemtic Name: benzoic acid; methyl 4-[(pentylamino)methyl]benzoate Openeye Name: benzoic acid; methyl 4-[(pentylamino)methyl]benzoate CAS Name: benzoic acid; 4-[(pentylamino)methyl]benzoic acid methyl ester IUPAC Name: benzoic acid; methyl 4-[(pentylamino)methyl]benzoate Traditional Name: 4-[(amylamino)methyl]benzoic acid methyl ester; benzoic acid Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNCC1=CC=C(C=C1)C(=O)OC.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCCNCC1=CC=C(C=C1)C(=O)OC.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C14H21NO2.C7H6O2/c1-3-4-5-10-15-11-12-6-8-13(9-7-12)14(16)17-2;8-7(9)6-4-2-1-3-5-6/h6-9,15H,3-5,10-11H2,1-2H3;1-5H,(H,8,9)