1-[(E)-hexadec-4-enyl]-3,6-bis(oxidanylidene)-2-(phenylcarbonyl)piperidine-2-carbonitrile

Systemtic Name: 1-[(E)-hexadec-4-enyl]-3,6-bis(oxidanylidene)-2-(phenylcarbonyl)piperidine-2-carbonitrile Openeye Name: 2-benzoyl-1-[(E)-hexadec-4-enyl]-3,6-dioxo-piperidine-2-carbonitrile CAS Name: 2-benzoyl-1-[(E)-hexadec-4-enyl]-3,6-dioxo-2-piperidinecarbonitrile IUPAC Name: 2-benzoyl-1-[(E)-hexadec-4-enyl]-3,6-dioxopiperidine-2-carbonitrile Traditional Name: 2-benzoyl-1-[(E)-hexadec-4-enyl]-3,6-diketo-pipecolinonitrile Formula: C29H40N2O3 MolecularWeight: 464.6395

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC=CCCCN1C(=O)CCC(=O)C1(C#N)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCC/C=C/CCCN1C(=O)CCC(=O)C1(C#N)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C29H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-31-27(33)22-21-26(32)29(31,24-30)28(34)25-19-16-15-17-20-25/h12-13,15-17,19-20H,2-11,14,18,21-23H2,1H3/b13-12+