methyl 4-[(heptan-2-ylamino)methyl]benzoate

Systemtic Name: methyl 4-[(heptan-2-ylamino)methyl]benzoate Openeye Name: methyl 4-[(1-methylhexylamino)methyl]benzoate CAS Name: 4-[(heptan-2-ylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(heptan-2-ylamino)methyl]benzoate Traditional Name: 4-[(1-methylhexylamino)methyl]benzoic acid methyl ester Formula: C16H25NO2 MolecularWeight: 263.3752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NCC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCCCCC(C)NCC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C16H25NO2/c1-4-5-6-7-13(2)17-12-14-8-10-15(11-9-14)16(18)19-3/h8-11,13,17H,4-7,12H2,1-3H3