2-(hexadecylamino)-5-[(E)-3-oxidanylidene-3-pyridin-3-yloxy-prop-1-enyl]benzoic acid

Systemtic Name: 2-(hexadecylamino)-5-[(E)-3-oxidanylidene-3-pyridin-3-yloxy-prop-1-enyl]benzoic acid Openeye Name: 2-(hexadecylamino)-5-[(E)-3-oxo-3-(3-pyridyloxy)prop-1-enyl]benzoic acid CAS Name: 2-(hexadecylamino)-5-[(E)-3-oxo-3-(3-pyridinyloxy)prop-1-enyl]benzoic acid IUPAC Name: 2-(hexadecylamino)-5-[(E)-3-oxo-3-pyridin-3-yloxyprop-1-enyl]benzoic acid Traditional Name: 2-(cetylamino)-5-[(E)-3-keto-3-(3-pyridyloxy)prop-1-enyl]benzoic acid Formula: C31H44N2O4 MolecularWeight: 508.69206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H44N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-33-29-20-18-26(24-28(29)31(35)36)19-21-30(34)37-27-17-16-22-32-25-27/h16-22,24-25,33H,2-15,23H2,1H3,(H,35,36)/b21-19+