5-(4-chlorophenyl)-2-[(E)-heptadec-8-enyl]-5,6-dihydro-4H-1,3-oxazepin-7-one

Systemtic Name: 5-(4-chlorophenyl)-2-[(E)-heptadec-8-enyl]-5,6-dihydro-4H-1,3-oxazepin-7-one Openeye Name: 5-(4-chlorophenyl)-2-[(E)-heptadec-8-enyl]-5,6-dihydro-4H-1,3-oxazepin-7-one CAS Name: 5-(4-chlorophenyl)-2-[(E)-heptadec-8-enyl]-5,6-dihydro-4H-1,3-oxazepin-7-one IUPAC Name: 5-(4-chlorophenyl)-2-[(E)-heptadec-8-enyl]-5,6-dihydro-4H-1,3-oxazepin-7-one Traditional Name: 5-(4-chlorophenyl)-2-[(E)-heptadec-8-enyl]-5,6-dihydro-4H-1,3-oxazepin-7-one Formula: C28H42ClNO2 MolecularWeight: 460.09158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC1=NCC(CC(=O)O1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC1=NCC(CC(=O)O1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C28H42ClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27-30-23-25(22-28(31)32-27)24-18-20-26(29)21-19-24/h9-10,18-21,25H,2-8,11-17,22-23H2,1H3/b10-9+