[2-(aminomethyl)-4-hexan-2-yl-3-(hydroxymethyl)phenyl]methyl benzoate

Systemtic Name: [2-(aminomethyl)-4-hexan-2-yl-3-(hydroxymethyl)phenyl]methyl benzoate Openeye Name: [2-(aminomethyl)-3-(hydroxymethyl)-4-(1-methylpentyl)phenyl]methyl benzoate CAS Name: benzoic acid [2-(aminomethyl)-4-hexan-2-yl-3-(hydroxymethyl)phenyl]methyl ester IUPAC Name: [2-(aminomethyl)-4-hexan-2-yl-3-(hydroxymethyl)phenyl]methyl benzoate Traditional Name: benzoic acid [2-(aminomethyl)-3-methylol-4-(1-methylpentyl)benzyl] ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C1=C(C(=C(C=C1)COC(=O)C2=CC=CC=C2)CN)CO

Isomeric SMILES

CCCCC(C)C1=C(C(=C(C=C1)COC(=O)C2=CC=CC=C2)CN)CO

InChI

InChI=1S/C22H29NO3/c1-3-4-8-16(2)19-12-11-18(20(13-23)21(19)14-24)15-26-22(25)17-9-6-5-7-10-17/h5-7,9-12,16,24H,3-4,8,13-15,23H2,1-2H3