N-butylbutan-1-amine; dimethyl 5-methylbenzene-1,3-dicarboxylate

Systemtic Name: N-butylbutan-1-amine; dimethyl 5-methylbenzene-1,3-dicarboxylate Openeye Name: N-butylbutan-1-amine; dimethyl 5-methylbenzene-1,3-dicarboxylate CAS Name: N-butyl-1-butanamine; 5-methylbenzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: N-butylbutan-1-amine; dimethyl 5-methylbenzene-1,3-dicarboxylate Traditional Name: dibutylamine; 5-methylbenzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H31NO4 MolecularWeight: 337.45374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCCC.CC1=CC(=CC(=C1)C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCNCCCC.CC1=CC(=CC(=C1)C(=O)OC)C(=O)OC

InChI

InChI=1S/C11H12O4.C8H19N/c1-7-4-8(10(12)14-2)6-9(5-7)11(13)15-3;1-3-5-7-9-8-6-4-2/h4-6H,1-3H3;9H,3-8H2,1-2H3