dimethyl 5-(heptadecylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(heptadecylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(heptadecylamino)benzene-1,3-dicarboxylate CAS Name: 5-(heptadecylamino)benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(heptadecylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(heptadecylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C27H45NO4 MolecularWeight: 447.6505

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC1=CC(=CC(=C1)C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC1=CC(=CC(=C1)C(=O)OC)C(=O)OC

InChI

InChI=1S/C27H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-25-21-23(26(29)31-2)20-24(22-25)27(30)32-3/h20-22,28H,4-19H2,1-3H3