2-(hexadecylamino)-5-pyridin-3-yloxycarbonyl-benzoic acid

Systemtic Name: 2-(hexadecylamino)-5-pyridin-3-yloxycarbonyl-benzoic acid Openeye Name: 2-(hexadecylamino)-5-(3-pyridyloxycarbonyl)benzoic acid CAS Name: 2-(hexadecylamino)-5-[oxo(3-pyridinyloxy)methyl]benzoic acid IUPAC Name: 2-(hexadecylamino)-5-pyridin-3-yloxycarbonylbenzoic acid Traditional Name: 2-(cetylamino)-5-(3-pyridyloxycarbonyl)benzoic acid Formula: C29H42N2O4 MolecularWeight: 482.65478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C(=O)OC2=CN=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C(=O)OC2=CN=CC=C2)C(=O)O

InChI

InChI=1S/C29H42N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-31-27-19-18-24(22-26(27)28(32)33)29(34)35-25-17-16-20-30-23-25/h16-20,22-23,31H,2-15,21H2,1H3,(H,32,33)