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

Systemtic Name: methyl 4-[(octan-2-ylamino)methyl]benzoate Openeye Name: methyl 4-[(1-methylheptylamino)methyl]benzoate CAS Name: 4-[(octan-2-ylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(octan-2-ylamino)methyl]benzoate Traditional Name: 4-[(1-methylheptylamino)methyl]benzoic acid methyl ester Formula: C17H27NO2 MolecularWeight: 277.40178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO2/c1-4-5-6-7-8-14(2)18-13-15-9-11-16(12-10-15)17(19)20-3/h9-12,14,18H,4-8,13H2,1-3H3