4-[(E)-3-[4-(hexadecylamino)phenyl]prop-2-enoyl]oxybenzoic acid

Systemtic Name: 4-[(E)-3-[4-(hexadecylamino)phenyl]prop-2-enoyl]oxybenzoic acid Openeye Name: 4-[(E)-3-[4-(hexadecylamino)phenyl]prop-2-enoyl]oxybenzoic acid CAS Name: 4-[(E)-3-[4-(hexadecylamino)phenyl]-1-oxoprop-2-enoxy]benzoic acid IUPAC Name: 4-[(E)-3-[4-(hexadecylamino)phenyl]prop-2-enoyl]oxybenzoic acid Traditional Name: 4-[(E)-3-[4-(cetylamino)phenyl]acryloyl]oxybenzoic acid Formula: C32H45NO4 MolecularWeight: 507.704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-26-33-29-21-16-27(17-22-29)18-25-31(34)37-30-23-19-28(20-24-30)32(35)36/h16-25,33H,2-15,26H2,1H3,(H,35,36)/b25-18+